CompoundList
Sign in
Screening compounds

Cct-018159

Also known as CCT 018159, 4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol, 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1h-pyrazol-3-yl]-6-ethyl-1,3-benzenediol

CAS 171009-07-7Formula C20H20N2O4Molar mass 352.39 g/molEC 630-646-4
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
Get quotes See the supplier
Cct-018159 chemical structure, C20H20N2O4, CAS 171009-07-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
171009-07-7
Formula
C20H20N2O4
Molar mass
352.39 g/mol
EC number
630-646-4
HS code
293499
Category
Screening compounds

What is Cct-018159?

Plain description, key identifiers and synonyms

CCT-018159 is a member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively. It has a role as an antineoplastic agent, a Hsp90 inhibitor and an apoptosis inducer. It is a member of pyrazoles, a member of resorcinols and a benzodioxine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol
CAS number
171009-07-7Other or deprecated CAS: 868989-73-5
EC number
630-646-4
Molecular formula
C20H20N2O4
UNII
55H1ZOI1NL
MDL number
MFCD00710300
InChIKey
OWPMENVYXDJDOW-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)
SMILES (canonical and isomeric)
CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCCO4)C

Synonyms

  • CCT 018159
  • 4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
  • 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1h-pyrazol-3-yl]-6-ethyl-1,3-benzenediol
  • 1,3-Benzenediol, 4-(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethyl-
  • 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrazol-5-yl]-6-ethylbenzene-1,3-diol
  • 4-(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyrazol-5-yl)-6-ethylbenzene-1,3-diol
  • 4-(4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-pyrazol-5-yl)-6-ethylbenzene-1,3-diol
  • 4-(4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethyl-1,3-benzenediol
  • 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol
  • 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)-6-ethylbenzene-1,3-diol
  • 6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-hydroxy-1-cyclohexa-2,4-dienone
  • 2brc
  • Kinome_3591
  • HSP90 Inhibitor, CCT018159
  • Sdccgsbi-0634553.p003
  • CCT018159, >98% (HPLC)
  • 4-(4-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-5-methylpyrazol-3-yl)-6-ethylbenzene- 1,3-diol
  • 4-[4-(2,3-dihydo-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-1,3-benzenediol
  • 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-benzene-1,3-diol
  • 4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-benzene-1,3-diol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
352.39 g/molcalc.
Exact mass
352.1423 Dacalc.
LogP (octanol/water)
3.8calc.
Topological polar surface area
87.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.25calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCCO3)cc1

c1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCCO3)cc1

4 rings, 21 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (13)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Cct-018159 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

See the supplier

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Cct-018159 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • Hsp90 inhibitor
  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cct-018159 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Cct-018159 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cct-018159, based on the data on this page

What is Cct-018159?

CCT-018159 is a member of the class of pyrazoles that is 1H-pyrazole carrying 1,4-benzodioxane-6-yl and 5-ethyl-2,4-dihydroxyphenyl substituents at positions 4 and 5 respectively. It has a role as an antineoplastic agent, a Hsp90 inhibitor and an apoptosis inducer.

What is the CAS number of Cct-018159?

The CAS registry number of Cct-018159 is 171009-07-7. Other or deprecated CAS numbers: 868989-73-5.

What is the molecular formula and weight of Cct-018159?

The molecular formula of Cct-018159 is C20H20N2O4 and its molar mass is 352.39 g/mol.

What is Cct-018159 used for?

Known uses and roles of Cct-018159 include building blocks in research and laboratory, screening compounds in research and laboratory, hsp90 inhibitor, antineoplastic agent, apoptosis inducer and 2 more.

Is Cct-018159 hazardous?

Cct-018159 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cct-018159?

Cct-018159 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cct-018159?

CompoundList lists 1 supplier of Cct-018159 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cct-018159?

Suppliers quote Cct-018159 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Cct-018159

Get quotes for Cct-018159

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Cct-018159
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Cct-018159 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/cct-018159-171009-07-7" title="Cct-018159 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293499

1 supplier
Free quotes, contact stays private
Get quotes