D451-0736 Screening compound: 2-[(6-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide

D451-0736 Screening compound: 2-[(6-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide
D451-0736 Screening compound: 2-[(6-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0736
2-[(6-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide

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

D451-0736

Molecular Formula

C22H16ClFN4O2S2 (C22 H16 ClFN4 O2 S2)

Compound Name

2-[(6-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide

IUPAC name

2-[(6-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide

SMILES

O=C(CSc1nc(ccc(NC(Nc(cc2)cc(Cl)c2F)=O)c2)c2s1)Nc1ccccc1

InChI

InChI=1S/C22H16ClFN4O2S2/c23-16-10-14(6-8-17(16)24)26-21(30)27-15-7-9-18-19(11-15)32-22(28-18)31-12-20(29)25-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,29)(H2,26,27,30)

InChI Key

BKXDQONLRPCREX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.329

Distribution Coefficient, logD

6.327

Water Solubility, LogSw

-6.28

Polar Surface Area

64.501

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

D451-0736 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D451-0736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0736?
Check Price and Availability of D451-0736, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D451-0736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0736
  • 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 D451-0736 available by request