8007-8286 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide

8007-8286 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide
8007-8286 Screening compound: N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-8286
N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide

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

8007-8286

Molecular Formula

C25H21N3O3S2 (C25 H21 N3 O3 S2)

Compound Name

N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-4-methylbenzamide

IUPAC name

N-[2-({[(4-acetylphenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-4-methylbenzamide

SMILES

CC(c(cc1)ccc1NC(CSc1nc(ccc(NC(c2ccc(C)cc2)=O)c2)c2s1)=O)=O

InChI

InChI=1S/C25H21N3O3S2/c1-15-3-5-18(6-4-15)24(31)27-20-11-12-21-22(13-20)33-25(28-21)32-14-23(30)26-19-9-7-17(8-10-19)16(2)29/h3-13H,14H2,1-2H3,(H,26,30)(H,27,31)

InChI Key

YJIMXNZIDKYQDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-4.84

Polar Surface Area

69.116

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8007-8286 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8007-8286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-8286?
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What is the minimum amount of 8007-8286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-8286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-8286
  • 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 8007-8286 available by request