D408-0545 Screening compound: 1-(2,4-dimethoxyphenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea

D408-0545 Screening compound: 1-(2,4-dimethoxyphenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
D408-0545 Screening compound: 1-(2,4-dimethoxyphenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0545
1-(2,4-dimethoxyphenyl)-3-(6-ethoxy-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

D408-0545

Molecular Formula

C18H19N3O4S (C18 H19 N3 O4 S)

Compound Name

1-(2,4-dimethoxyphenyl)-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(24-dimethoxyphenyl)-3-(6-ethoxy-13-benzothiazol-2-yl)urea

SMILES

CCOc(cc1)cc2c1nc(NC(Nc(ccc(OC)c1)c1OC)=O)s2

InChI

InChI=1S/C18H19N3O4S/c1-4-25-12-6-8-14-16(10-12)26-18(20-14)21-17(22)19-13-7-5-11(23-2)9-15(13)24-3/h5-10H,4H2,1-3H3,(H2,19,20,21,22)

InChI Key

ZZLCBHWESGOCIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.568

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.44

Polar Surface Area

63.903

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D408-0545 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 D408-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0545?
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What is the minimum amount of D408-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0545
  • 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 D408-0545 available by request