D408-0693 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]urea

D408-0693 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]urea
D408-0693 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0693
3-(1,3-benzothiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]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

D408-0693

Molecular Formula

C15H13N3OS2 (C15 H13 N3 OS2)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-(13-benzothiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CSc1cccc(NC(Nc2nc(cccc3)c3s2)=O)c1

InChI

InChI=1S/C15H13N3OS2/c1-20-11-6-4-5-10(9-11)16-14(19)18-15-17-12-7-2-3-8-13(12)21-15/h2-9H,1H3,(H2,16,17,18,19)

InChI Key

XNRHEWCKNVNNJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.65

Polar Surface Area

42.303

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D408-0693 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D408-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0693?
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What is the minimum amount of D408-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0693
  • 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 D408-0693 available by request