D451-0894 Screening compound: N-(2-fluorophenyl)-2-[(6-{[(2-methoxy-5-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

D451-0894 Screening compound: N-(2-fluorophenyl)-2-[(6-{[(2-methoxy-5-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide
D451-0894 Screening compound: N-(2-fluorophenyl)-2-[(6-{[(2-methoxy-5-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0894
N-(2-fluorophenyl)-2-[(6-{[(2-methoxy-5-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-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

D451-0894

Molecular Formula

C24H21FN4O3S2 (C24 H21 FN4 O3 S2)

Compound Name

N-(2-fluorophenyl)-2-[(6-{[(2-methoxy-5-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

IUPAC name

N-(2-fluorophenyl)-2-[(6-{[(2-methoxy-5-methylphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]acetamide

SMILES

Cc(cc1)cc(NC(Nc(cc2)cc3c2nc(SCC(Nc(cccc2)c2F)=O)s3)=O)c1OC

InChI

InChI=1S/C24H21FN4O3S2/c1-14-7-10-20(32-2)19(11-14)28-23(31)26-15-8-9-18-21(12-15)34-24(29-18)33-13-22(30)27-17-6-4-3-5-16(17)25/h3-12H,13H2,1-2H3,(H,27,30)(H2,26,28,31)

InChI Key

LNZJBWDXSOCLDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.408

Distribution Coefficient, logD

5.408

Water Solubility, LogSw

-5.32

Polar Surface Area

70.735

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D451-0894 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 D451-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0894?
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What is the minimum amount of D451-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0894
  • 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 D451-0894 available by request