8008-4256 Screening compound: N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

8008-4256 Screening compound: N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
8008-4256 Screening compound: N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4256
N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-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

8008-4256

Molecular Formula

C26H21FN6O2S3 (C26 H21 FN6 O2 S3)

Compound Name

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

IUPAC name

N-[2-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-13-benzothiazol-6-yl]-2-[(4-methyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cn1c(SCC(Nc(cc2)cc3c2nc(SCC(Nc(cccc2)c2F)=O)s3)=O)nnc1-c1ccccc1

InChI

InChI=1S/C26H21FN6O2S3/c1-33-24(16-7-3-2-4-8-16)31-32-25(33)36-14-22(34)28-17-11-12-20-21(13-17)38-26(30-20)37-15-23(35)29-19-10-6-5-9-18(19)27/h2-13H,14-15H2,1H3,(H,28,34)(H,29,35)

InChI Key

CNCMVBQIZNPNKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01208891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.69

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.009

Distribution Coefficient, logD

5.009

Water Solubility, LogSw

-4.63

Polar Surface Area

79.462

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8008-4256 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8008-4256 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-4256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4256
  • 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 8008-4256 available by request