L322-0447 Screening compound: N~2~-{6-[(4-fluorophenyl)sulfonyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl}-3-methyl-2-thiophenecarboxamide

L322-0447 Screening compound: N~2~-{6-[(4-fluorophenyl)sulfonyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl}-3-methyl-2-thiophenecarboxamide
L322-0447 Screening compound: N~2~-{6-[(4-fluorophenyl)sulfonyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl}-3-methyl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L322-0447
N~2~-{6-[(4-fluorophenyl)sulfonyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl}-3-methyl-2-thiophenecarboxamide

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

L322-0447

Molecular Formula

C21H18FN3O4S2 (C21 H18 FN3 O4 S2)

Compound Name

N~2~-{6-[(4-fluorophenyl)sulfonyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl}-3-methyl-2-thiophenecarboxamide

IUPAC name

N-[6-(4-fluorobenzenesulfonyl)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-3-methylthiophene-2-carboxamide

SMILES

Cc1c(C(Nc(cc(c(N2C)c3)N(C)C2=O)c3S(c(cc2)ccc2F)(=O)=O)=O)scc1

InChI

InChI=1S/C21H18FN3O4S2/c1-12-8-9-30-19(12)20(26)23-15-10-16-17(25(3)21(27)24(16)2)11-18(15)31(28,29)14-6-4-13(22)5-7-14/h4-11H,1-3H3,(H,23,26)

InChI Key

NJCMEQFSMZOLBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27245002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.885

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.00

Polar Surface Area

70.836

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

L322-0447 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L322-0447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L322-0447?
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What is the minimum amount of L322-0447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L322-0447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L322-0447
  • 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 L322-0447 available by request