8007-8991 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

8007-8991 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
8007-8991 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8991
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)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

8007-8991

Molecular Formula

C24H19N5O2S3 (C24 H19 N5 O2 S3)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-(2-{[(phenylcarbamoyl)methyl]sulfanyl}-13-benzothiazol-6-yl)acetamide

SMILES

O=C(CSc1nc(cccc2)c2[nH]1)Nc(cc1)cc2c1nc(SCC(Nc1ccccc1)=O)s2

InChI

InChI=1S/C24H19N5O2S3/c30-21(13-32-23-27-17-8-4-5-9-18(17)28-23)26-16-10-11-19-20(12-16)34-24(29-19)33-14-22(31)25-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,31)(H,26,30)(H,27,28)

InChI Key

JLWBYQUTFPKRTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.780

Water Solubility, LogSw

-4.80

Polar Surface Area

73.089

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8007-8991 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8007-8991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8991?
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What is the minimum amount of 8007-8991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8991
  • 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 8007-8991 available by request