D408-0030 Screening compound: 3-(4-phenyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

D408-0030 Screening compound: 3-(4-phenyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea
D408-0030 Screening compound: 3-(4-phenyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0030
3-(4-phenyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]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

D408-0030

Molecular Formula

C17H12F3N3OS (C17 H12 F3 N3 OS)

Compound Name

3-(4-phenyl-1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

IUPAC name

3-(4-phenyl-13-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]urea

SMILES

O=C(Nc1nc(-c2ccccc2)cs1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H12F3N3OS/c18-17(19,20)12-7-4-8-13(9-12)21-15(24)23-16-22-14(10-25-16)11-5-2-1-3-6-11/h1-10H,(H2,21,22,23,24)

InChI Key

KMFWEZMZAFLTOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08844722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.36

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

6.064

Distribution Coefficient, logD

6.064

Water Solubility, LogSw

-6.14

Polar Surface Area

42.316

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D408-0030 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D408-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0030?
Check Price and Availability of D408-0030, 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 D408-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0030
  • 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 D408-0030 available by request