4593-4334 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

4593-4334 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
4593-4334 Screening compound: 5-{[(4-chlorophenyl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-4334
5-{[(4-chlorophenyl)methyl]amino}-2-(4-methylphenyl)-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

4593-4334

Molecular Formula

C18H14ClN3O (C18 H14 ClN3 O)

Compound Name

5-{[(4-chlorophenyl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[(4-chlorophenyl)methyl]amino}-2-(4-methylphenyl)-13-oxazole-4-carbonitrile

SMILES

Cc(cc1)ccc1-c1nc(C#N)c(NCc(cc2)ccc2Cl)o1

InChI

InChI=1S/C18H14ClN3O/c1-12-2-6-14(7-3-12)17-22-16(10-20)18(23-17)21-11-13-4-8-15(19)9-5-13/h2-9,21H,11H2,1H3

InChI Key

JEFODDWUFFCHNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.370

Water Solubility, LogSw

-4.63

Polar Surface Area

46.278

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4593-4334 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4593-4334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-4334?
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What is the minimum amount of 4593-4334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-4334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-4334
  • 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 4593-4334 available by request