D408-0534 Screening compound: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)urea

D408-0534 Screening compound: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)urea
D408-0534 Screening compound: 3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0534
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)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

D408-0534

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

3-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-ethoxyphenyl)urea

IUPAC name

3-(6-ethoxy-13-benzothiazol-2-yl)-1-(2-ethoxyphenyl)urea

SMILES

CCOc(cc1)cc2c1nc(NC(Nc(cccc1)c1OCC)=O)s2

InChI

InChI=1S/C18H19N3O3S/c1-3-23-12-9-10-14-16(11-12)25-18(20-14)21-17(22)19-13-7-5-6-8-15(13)24-4-2/h5-11H,3-4H2,1-2H3,(H2,19,20,21,22)

InChI Key

UMFLMAZXBVFREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.59

Polar Surface Area

55.939

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D408-0534 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 D408-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0534?
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What is the minimum amount of D408-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0534
  • 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 D408-0534 available by request