D451-0842 Screening compound: 2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

D451-0842 Screening compound: 2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
D451-0842 Screening compound: 2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D451-0842
2-[(6-{[(3-methoxyphenyl)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

D451-0842

Molecular Formula

C24H22N4O3S2 (C24 H22 N4 O3 S2)

Compound Name

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

IUPAC name

2-[(6-{[(3-methoxyphenyl)carbamoyl]amino}-13-benzothiazol-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CSc1nc(ccc(NC(Nc2cc(OC)ccc2)=O)c2)c2s1)=O

InChI

InChI=1S/C24H22N4O3S2/c1-15-6-8-16(9-7-15)25-22(29)14-32-24-28-20-11-10-18(13-21(20)33-24)27-23(30)26-17-4-3-5-19(12-17)31-2/h3-13H,14H2,1-2H3,(H,25,29)(H2,26,27,30)

InChI Key

HCGVPAJLQDPNCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.6

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

6.280

Distribution Coefficient, logD

6.280

Water Solubility, LogSw

-5.43

Polar Surface Area

72.044

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D451-0842 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D451-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D451-0842?
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What is the minimum amount of D451-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D451-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D451-0842
  • 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 D451-0842 available by request