8009-4731 Screening compound: 2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

8009-4731 Screening compound: 2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
8009-4731 Screening compound: 2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4731
2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]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

8009-4731

Molecular Formula

C27H18F3N3O2S2 (C27 H18 F3 N3 O2 S2)

Compound Name

2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({6-[(E)-[(2-hydroxynaphthalen-1-yl)methylidene]amino]-13-benzothiazol-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

Oc1c(/C=N/c(cc2)cc3c2nc(SCC(Nc2c(C(F)(F)F)cccc2)=O)s3)c2ccccc2cc1

InChI

InChI=1S/C27H18F3N3O2S2/c28-27(29,30)20-7-3-4-8-21(20)32-25(35)15-36-26-33-22-11-10-17(13-24(22)37-26)31-14-19-18-6-2-1-5-16(18)9-12-23(19)34/h1-14,34H,15H2,(H,32,35)

InChI Key

PJPRUBPDEXTIRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01618423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.745

Distribution Coefficient, logD

6.700

Water Solubility, LogSw

-6.76

Polar Surface Area

55.904

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

8009-4731 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-4731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4731?
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What is the minimum amount of 8009-4731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4731
  • 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 8009-4731 available by request