C301-8973 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

C301-8973 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide
C301-8973 Screening compound: N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8973
N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

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

C301-8973

Molecular Formula

C22H17F2N3O2S (C22 H17 F2 N3 O2 S)

Compound Name

N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2,6-difluorobenzamide

IUPAC name

N-[13-dimethyl-2-oxo-6-(phenylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]-26-difluorobenzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(c(F)ccc3)c3F)=O)c2Sc2ccccc2)C1=O

InChI

InChI=1S/C22H17F2N3O2S/c1-26-17-11-16(25-21(28)20-14(23)9-6-10-15(20)24)19(12-18(17)27(2)22(26)29)30-13-7-4-3-5-8-13/h3-12H,1-2H3,(H,25,28)

InChI Key

GLKBIHLZCYJVRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.70

Polar Surface Area

40.045

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C301-8973 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C301-8973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8973?
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What is the minimum amount of C301-8973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8973
  • 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 C301-8973 available by request