D451-0742 Screening compound: 2-[(6-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide

D451-0742 Screening compound: 2-[(6-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide
D451-0742 Screening compound: 2-[(6-{[(3-chloro-2-methylphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0742
2-[(6-{[(3-chloro-2-methylphenyl)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

D451-0742

Molecular Formula

C23H19ClN4O2S2 (C23 H19 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(Nc(cc1)cc2c1nc(SCC(Nc1ccccc1)=O)s2)=O)ccc1)c1Cl

InChI

InChI=1S/C23H19ClN4O2S2/c1-14-17(24)8-5-9-18(14)27-22(30)26-16-10-11-19-20(12-16)32-23(28-19)31-13-21(29)25-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,25,29)(H2,26,27,30)

InChI Key

BHFMGVDQHUBAFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.01

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

6.407

Distribution Coefficient, logD

6.407

Water Solubility, LogSw

-6.11

Polar Surface Area

63.803

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D451-0742 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D451-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0742?
Check Price and Availability of D451-0742, 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 D451-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0742
  • 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 D451-0742 available by request