8010-2937 Screening compound: N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

8010-2937 Screening compound: N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
8010-2937 Screening compound: N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2937
N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

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

8010-2937

Molecular Formula

C23H17N7O3S3 (C23 H17 N7 O3 S3)

Compound Name

N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide

IUPAC name

N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetamide

SMILES

[O-][N+](c1ccc(CSc2nc(ccc(NC(CSc3nnnn3-c3ccccc3)=O)c3)c3s2)cc1)=O

InChI

InChI=1S/C23H17N7O3S3/c31-21(14-34-22-26-27-28-29(22)17-4-2-1-3-5-17)24-16-8-11-19-20(12-16)36-23(25-19)35-13-15-6-9-18(10-7-15)30(32)33/h1-12H,13-14H2,(H,24,31)

InChI Key

NPXGOBICLRIWLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.63

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.143

Distribution Coefficient, logD

5.143

Water Solubility, LogSw

-5.37

Polar Surface Area

105.230

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8010-2937 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 8010-2937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2937?
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What is the minimum amount of 8010-2937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2937
  • 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 8010-2937 available by request