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Screening compounds

CI-1015

Also known as PD 144598, C.I. 1015, CI 1015

CAS 156672-01-4Formula C29H39N3O4Molar mass 493.65 g/mol
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CI-1015 chemical structure, C29H39N3O4, CAS 156672-01-4
2D chemical structure

Key facts

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All properties
CAS number
156672-01-4
Formula
C29H39N3O4
Molar mass
493.65 g/mol
HS code
293399
Category
Screening compounds

What is CI-1015?

Plain description, key identifiers and synonyms

CI-1015 is a chemical substance with the molecular formula C29H39N3O4 and a molar mass of 493.65 g/mol. Its CAS registry number is 156672-01-4. The IUPAC name is 2-adamantyl N-[(2R)-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-adamantyl N-[(2R)-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CAS number
156672-01-4
Molecular formula
C29H39N3O4
UNII
6RYQ64Z587
InChIKey
YKZVFJYBIIABAI-VZHOGKRISA-N
InChI
InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24-,25-,26?,29+/m0/s1
Canonical SMILES
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O
Isomeric SMILES
C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N[C@H]3CCCC[C@@H]3O)NC(=O)OC4C5CC6CC(C5)CC4C6

Synonyms

  • PD 144598
  • C.I. 1015
  • CI 1015
  • 1-adamantyl N-((2R)-1-(((1S,2S)-2-hydroxycyclohexyl)amino)-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl)carbamate
  • 2-adamantyl N-[(2R)-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
  • Carbamic acid, (2-((2-hydroxycyclohexyl)amino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl)-,tricyclo(3.3.1(sup 3,7))dec-2-yl ester, (1S-(1-alpha(S*),2-beta))-
  • Tricyclo(3.3.1.1)dec-2-yl-(1S-(1alpha(S)2beta)-2-((2-hydroxycyclohexyl)amino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl)carbamate
  • Carbamic acid, ((1R)-2-(((1S,2S)-2-hydroxycyclohexyl)amino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl)-, tricyclo(3.3.1.13,7)dec-2-yl ester
  • Carbamic acid, (2-((2-hydroxycyclohexyl)amino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl)-, tricyclo(3.3.1.13,7)dec-2-yl ester, (1S-(1alpha(s*),2.beta.))-
  • Carbamic acid, N-((1R)-2-(((1S,2S)-2-hydroxycyclohexyl)amino)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl)-, tricyclo(3.3.1.13,7)dec-2-yl ester

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
493.65 g/molcalc.
Exact mass
493.2941 Dacalc.
LogP (octanol/water)
4.44calc.
Topological polar surface area
103.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
36calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.66calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)OC1C2CC3CC(C2)CC1C3

O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1)OC1C2CC3CC(C2)CC1C3

7 rings, 34 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

CI-1015 suppliers

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CI-1015 price

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Uses and applications

What the substance is used for, by industry and function

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 CI-1015 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for CI-1015 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about CI-1015, based on the data on this page

What is CI-1015?

CI-1015 is a chemical substance with the molecular formula C29H39N3O4 and a molar mass of 493.65 g/mol. Its CAS registry number is 156672-01-4. The IUPAC name is 2-adamantyl N-[(2R)-1-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate.

What is the CAS number of CI-1015?

The CAS registry number of CI-1015 is 156672-01-4.

What is the molecular formula and weight of CI-1015?

The molecular formula of CI-1015 is C29H39N3O4 and its molar mass is 493.65 g/mol.

What is CI-1015 used for?

Known uses and roles of CI-1015 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is CI-1015 hazardous?

No GHS hazard classification for CI-1015 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of CI-1015?

CI-1015 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy CI-1015?

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What is the price of CI-1015?

Suppliers quote CI-1015 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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