D408-0595 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)urea

D408-0595 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)urea
D408-0595 Screening compound: 3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0595
3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)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

D408-0595

Molecular Formula

C17H17N3O3S (C17 H17 N3 O3 S)

Compound Name

3-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)urea

IUPAC name

3-(6-methoxy-13-benzothiazol-2-yl)-1-(2-methoxy-5-methylphenyl)urea

SMILES

Cc(cc1)cc(NC(Nc2nc(ccc(OC)c3)c3s2)=O)c1OC

InChI

InChI=1S/C17H17N3O3S/c1-10-4-7-14(23-3)13(8-10)18-16(21)20-17-19-12-6-5-11(22-2)9-15(12)24-17/h4-9H,1-3H3,(H2,18,19,20,21)

InChI Key

UTAIJXCNUWTYKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.40

Polar Surface Area

56.779

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D408-0595 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D408-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0595?
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What is the minimum amount of D408-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0595
  • 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 D408-0595 available by request