C304-2177 Screening compound: 2-bromo-N~8~-[2-(1-cyclohexenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-2177 Screening compound: 2-bromo-N~8~-[2-(1-cyclohexenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-2177 Screening compound: 2-bromo-N~8~-[2-(1-cyclohexenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-2177
2-bromo-N~8~-[2-(1-cyclohexenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C304-2177

Molecular Formula

C24H25BrN2OS (C24 H25 BrN2 OS)

Compound Name

2-bromo-N~8~-[2-(1-cyclohexenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-bromo-N-[2-(cyclohex-1-en-1-yl)ethyl]-10-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCC1=Nc(cc(cc2)C(NCCC3=CCCCC3)=O)c2Sc(cc2)c1cc2Br

InChI

InChI=1S/C24H25BrN2OS/c1-2-20-19-15-18(25)9-11-22(19)29-23-10-8-17(14-21(23)27-20)24(28)26-13-12-16-6-4-3-5-7-16/h6,8-11,14-15H,2-5,7,12-13H2,1H3,(H,26,28)

InChI Key

FFTCVQBTHYQBAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.347

Distribution Coefficient, logD

6.346

Water Solubility, LogSw

-5.44

Polar Surface Area

32.678

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C304-2177 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-2177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-2177?
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What is the minimum amount of C304-2177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-2177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-2177
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C304-2177 available by request