3992-0250 Screening compound: 1-(4-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea

3992-0250 Screening compound: 1-(4-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
3992-0250 Screening compound: 1-(4-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-0250
1-(4-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-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

3992-0250

Molecular Formula

C18H16ClN3OS (C18 H16 ClN3 OS)

Compound Name

1-(4-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea

IUPAC name

1-(4-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-13-thiazol-2-yl]urea

SMILES

Cc1c(-c2ccc(C)cc2)nc(NC(Nc(cc2)ccc2Cl)=O)s1

InChI

InChI=1S/C18H16ClN3OS/c1-11-3-5-13(6-4-11)16-12(2)24-18(21-16)22-17(23)20-15-9-7-14(19)8-10-15/h3-10H,1-2H3,(H2,20,21,22,23)

InChI Key

DGUMILDBLPRMSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02359015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.038

Distribution Coefficient, logD

6.038

Water Solubility, LogSw

-6.30

Polar Surface Area

43.087

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3992-0250 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3992-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-0250?
Check Price and Availability of 3992-0250, 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 3992-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-0250
  • 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 3992-0250 available by request