8009-9301 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide

8009-9301 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
8009-9301 Screening compound: 2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[2-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9301
2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[2-({[(2,4,6-trimethylphenyl)carbamoyl]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

8009-9301

Molecular Formula

C27H25N7O2S3 (C27 H25 N7 O2 S3)

Compound Name

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

IUPAC name

2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]-N-[2-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]acetamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nc(ccc(NC(CSc2nnnn2-c2ccccc2)=O)c2)c2s1)=O

InChI

InChI=1S/C27H25N7O2S3/c1-16-11-17(2)25(18(3)12-16)30-24(36)15-38-27-29-21-10-9-19(13-22(21)39-27)28-23(35)14-37-26-31-32-33-34(26)20-7-5-4-6-8-20/h4-13H,14-15H2,1-3H3,(H,28,35)(H,30,36)

InChI Key

SVUFRMSJTKAWGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.406

Distribution Coefficient, logD

5.406

Water Solubility, LogSw

-5.30

Polar Surface Area

93.602

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

8009-9301 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-9301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9301?
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What is the minimum amount of 8009-9301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9301
  • 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 8009-9301 available by request