D408-0001 Screening compound: 1-(4-ethylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

D408-0001 Screening compound: 1-(4-ethylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
D408-0001 Screening compound: 1-(4-ethylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0001
1-(4-ethylphenyl)-3-(4-phenyl-1,3-thiazol-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

D408-0001

Molecular Formula

C18H17N3OS (C18 H17 N3 OS)

Compound Name

1-(4-ethylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

IUPAC name

1-(4-ethylphenyl)-3-(4-phenyl-13-thiazol-2-yl)urea

SMILES

CCc(cc1)ccc1NC(Nc1nc(-c2ccccc2)cs1)=O

InChI

InChI=1S/C18H17N3OS/c1-2-13-8-10-15(11-9-13)19-17(22)21-18-20-16(12-23-18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,19,20,21,22)

InChI Key

XSXPJAPTAFBYRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.951

Distribution Coefficient, logD

5.951

Water Solubility, LogSw

-5.55

Polar Surface Area

42.316

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D408-0001 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands
Targets:
  • Proteases
  • GPCR

References: we are preparing a list of scientific research reports with D408-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0001?
Check Price and Availability of D408-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D408-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0001
  • 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 D408-0001 available by request