5310-3892 Screening compound: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea

5310-3892 Screening compound: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea
5310-3892 Screening compound: 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5310-3892
3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea

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

5310-3892

Molecular Formula

C18H15ClN4O2S (C18 H15 ClN4 O2 S)

Compound Name

3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea

IUPAC name

3-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carbonyl]-1-[(pyridin-3-yl)methyl]thiourea

SMILES

Cc1c(C(NC(NCc2cnccc2)=S)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C18H15ClN4O2S/c1-11-15(16(23-25-11)13-6-2-3-7-14(13)19)17(24)22-18(26)21-10-12-5-4-8-20-9-12/h2-9H,10H2,1H3,(H2,21,22,24,26)

InChI Key

VKJHGIKWHPJVEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03543911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.358

Water Solubility, LogSw

-3.62

Polar Surface Area

66.040

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5310-3892 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5310-3892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5310-3892?
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What is the minimum amount of 5310-3892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5310-3892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5310-3892
  • 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 5310-3892 available by request