C301-6334 Screening compound: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-benzothiophene-2-carboxamide

C301-6334 Screening compound: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-benzothiophene-2-carboxamide
C301-6334 Screening compound: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6334
3-chloro-N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-benzothiophene-2-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

C301-6334

Molecular Formula

C22H21ClN4O2S (C22 H21 ClN4 O2 S)

Compound Name

3-chloro-N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[13-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-1-benzothiophene-2-carboxamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(sc3c4cccc3)c4Cl)=O)c2N2CCCC2)C1=O

InChI

InChI=1S/C22H21ClN4O2S/c1-25-16-11-14(15(27-9-5-6-10-27)12-17(16)26(2)22(25)29)24-21(28)20-19(23)13-7-3-4-8-18(13)30-20/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,24,28)

InChI Key

PAYRUCFURSVLFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.173

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-5.67

Polar Surface Area

44.581

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C301-6334 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-6334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6334?
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What is the minimum amount of C301-6334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6334
  • 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 C301-6334 available by request