D408-0767 Screening compound: 3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)urea

D408-0767 Screening compound: 3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)urea
D408-0767 Screening compound: 3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0767
3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)-1-(2-methoxyphenyl)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

D408-0767

Molecular Formula

C16H15N3O4S2 (C16 H15 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O

InChI

InChI=1S/C16H15N3O4S2/c1-23-13-6-4-3-5-11(13)17-15(20)19-16-18-12-8-7-10(25(2,21)22)9-14(12)24-16/h3-9H,1-2H3,(H2,17,18,19,20)

InChI Key

SEMWUJPIOOIICL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.817

Water Solubility, LogSw

-3.61

Polar Surface Area

78.984

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D408-0767 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 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 D408-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0767?
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What is the minimum amount of D408-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0767
  • 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 D408-0767 available by request