D408-0752 Screening compound: 1-(2-chlorophenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

D408-0752 Screening compound: 1-(2-chlorophenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea
D408-0752 Screening compound: 1-(2-chlorophenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0752
1-(2-chlorophenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

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

D408-0752

Molecular Formula

C15H12ClN3O3S2 (C15 H12 ClN3 O3 S2)

Compound Name

1-(2-chlorophenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(2-chlorophenyl)-3-(6-methanesulfonyl-13-benzothiazol-2-yl)urea

SMILES

CS(c(cc1)cc2c1nc(NC(Nc(cccc1)c1Cl)=O)s2)(=O)=O

InChI

InChI=1S/C15H12ClN3O3S2/c1-24(21,22)9-6-7-12-13(8-9)23-15(18-12)19-14(20)17-11-5-3-2-4-10(11)16/h2-8H,1H3,(H2,17,18,19,20)

InChI Key

VDTFEDVKZYOAOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03073715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.58

Polar Surface Area

71.354

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D408-0752 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D408-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0752?
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What is the minimum amount of D408-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0752
  • 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 D408-0752 available by request