C301-8974 Screening compound: 4-bromo-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methylbenzene-1-sulfonamide

C301-8974 Screening compound: 4-bromo-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methylbenzene-1-sulfonamide
C301-8974 Screening compound: 4-bromo-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8974
4-bromo-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methylbenzene-1-sulfonamide

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

C301-8974

Molecular Formula

C22H26BrN3O3S2 (C22 H26 BrN3 O3 S2)

Compound Name

4-bromo-N-[6-(cyclohexylsulfanyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methylbenzene-1-sulfonamide

IUPAC name

4-bromo-N-[6-(cyclohexylsulfanyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-2-methylbenzene-1-sulfonamide

SMILES

Cc(cc(cc1)Br)c1S(Nc(cc(c(N1C)c2)N(C)C1=O)c2SC1CCCCC1)(=O)=O

InChI

InChI=1S/C22H26BrN3O3S2/c1-14-11-15(23)9-10-21(14)31(28,29)24-17-12-18-19(26(3)22(27)25(18)2)13-20(17)30-16-7-5-4-6-8-16/h9-13,16,24H,4-8H2,1-3H3

InChI Key

AIKYBEWSFVPVLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.313

Distribution Coefficient, logD

5.241

Water Solubility, LogSw

-5.34

Polar Surface Area

57.795

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C301-8974 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-8974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8974?
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What is the minimum amount of C301-8974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8974
  • 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 C301-8974 available by request