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Heterocyclic building blocks

dBET1?

Also known as JQ1-Thalidomide conjugate, C38H37ClN8O7S

CAS 1799711-21-9Formula C38H37ClN8O7SMolar mass 785.28 g/mol
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dBET1? chemical structure, C38H37ClN8O7S, CAS 1799711-21-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1799711-21-9
Formula
C38H37ClN8O7S
Molar mass
785.28 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is dBET1??

Plain description, key identifiers and synonyms

dBET1? is a chemical substance with the molecular formula C38H37ClN8O7S and a molar mass of 785.28 g/mol. Its CAS registry number is 1799711-21-9. The IUPAC name is 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide
CAS number
1799711-21-9
Molecular formula
C38H37ClN8O7S
MDL number
MFCD31544503
InChIKey
LKEGXJXRNBALBV-PMCHYTPCSA-N
InChI
InChI=1S/C38H37ClN8O7S/c1-19-20(2)55-38-31(19)33(22-9-11-23(39)12-10-22)42-25(34-45-44-21(3)46(34)38)17-29(49)40-15-4-5-16-41-30(50)18-54-27-8-6-7-24-32(27)37(53)47(36(24)52)26-13-14-28(48)43-35(26)51/h6-12,25-26H,4-5,13-18H2,1-3H3,(H,40,49)(H,41,50)(H,43,48,51)/t25-,26?/m0/s1
Canonical SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCCCCNC(=O)COc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)c1nnc(C)n1-2
Isomeric SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)C7=CC=C(C=C7)Cl)C

Synonyms

  • JQ1-Thalidomide conjugate
  • C38H37ClN8O7S

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
785.28 g/molcalc.
Exact mass
784.2194 Dacalc.
LogP (octanol/water)
3.68calc.
Topological polar surface area
194.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
12calc.
Heavy atoms
55calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)CC1N=C(c2ccccc2)c2ccsc2-n2cnnc21

O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)CC1N=C(c2ccccc2)c2ccsc2-n2cnnc21

7 rings, 51 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.

dBET1? suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    dBET1?Grade, purity and minimum order on request
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dBET1? price

Indicative price range per kg from live supplier offers

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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 dBET1? 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 dBET1? is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about dBET1?, based on the data on this page

What is dBET1??

dBET1? is a chemical substance with the molecular formula C38H37ClN8O7S and a molar mass of 785.28 g/mol. Its CAS registry number is 1799711-21-9.

What is the CAS number of dBET1??

The CAS registry number of dBET1? is 1799711-21-9.

What is the molecular formula and weight of dBET1??

The molecular formula of dBET1? is C38H37ClN8O7S and its molar mass is 785.28 g/mol.

What is dBET1? used for?

Known uses and roles of dBET1? include building blocks in research and laboratory.

Is dBET1? hazardous?

No GHS hazard classification for dBET1? 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 dBET1??

dBET1? 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 dBET1??

CompoundList lists 1 supplier of dBET1? in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of dBET1??

Suppliers quote dBET1? 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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