C301-9867 Screening compound: 5-bromo-6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

C301-9867 Screening compound: 5-bromo-6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one
C301-9867 Screening compound: 5-bromo-6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9867
5-bromo-6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

C301-9867

Molecular Formula

C18H18BrClN4O3S (C18 H18 BrClN4 O3 S)

Compound Name

5-bromo-6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-bromo-6-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1S(c(cc(c(N1)c2)NC1=O)c2Br)(=O)=O

InChI

InChI=1S/C18H18BrClN4O3S/c1-11-2-3-12(20)8-16(11)23-4-6-24(7-5-23)28(26,27)17-10-15-14(9-13(17)19)21-18(25)22-15/h2-3,8-10H,4-7H2,1H3,(H2,21,22,25)

InChI Key

QWQAXGHQGAYPIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-4.33

Polar Surface Area

70.636

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

C301-9867 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9867?
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What is the minimum amount of C301-9867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9867
  • 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 C301-9867 available by request