5055-3232 Screening compound: 2-(4-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

5055-3232 Screening compound: 2-(4-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
5055-3232 Screening compound: 2-(4-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5055-3232
2-(4-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

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

5055-3232

Molecular Formula

C12H10ClN3O (C12 H10 ClN3 O)

Compound Name

2-(4-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile

IUPAC name

2-(4-chlorophenyl)-5-(dimethylamino)-13-oxazole-4-carbonitrile

SMILES

CN(C)c1c(C#N)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C12H10ClN3O/c1-16(2)12-10(7-14)15-11(17-12)8-3-5-9(13)6-4-8/h3-6H,1-2H3

InChI Key

GXONPTIWZRUCPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-3.54

Polar Surface Area

39.107

Acid Dissociation Constant (pKa)

29.83

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5055-3232 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 5055-3232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5055-3232?
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What is the minimum amount of 5055-3232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5055-3232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5055-3232
  • 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 5055-3232 available by request