D451-0816 Screening compound: 2-[(6-{[(2-chlorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

D451-0816 Screening compound: 2-[(6-{[(2-chlorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
D451-0816 Screening compound: 2-[(6-{[(2-chlorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0816
2-[(6-{[(2-chlorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)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

D451-0816

Molecular Formula

C23H19ClN4O2S2 (C23 H19 ClN4 O2 S2)

Compound Name

2-[(6-{[(2-chlorophenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

IUPAC name

2-[(6-{[(2-chlorophenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSc1nc(ccc(NC(Nc(cccc2)c2Cl)=O)c2)c2s1)=O

InChI

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

InChI Key

KTAXTASINSLSET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829323

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

6.265

Distribution Coefficient, logD

6.265

Water Solubility, LogSw

-6.04

Polar Surface Area

63.803

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D451-0816 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D451-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0816?
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What is the minimum amount of D451-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0816
  • 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 D451-0816 available by request