4593-4361 Screening compound: 2-(4-chlorophenyl)-5-(4-methylpiperazino)-1,3-oxazol-4-yl cyanide

4593-4361 Screening compound: 2-(4-chlorophenyl)-5-(4-methylpiperazino)-1,3-oxazol-4-yl cyanide
4593-4361 Screening compound: 2-(4-chlorophenyl)-5-(4-methylpiperazino)-1,3-oxazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-4361
2-(4-chlorophenyl)-5-(4-methylpiperazino)-1,3-oxazol-4-yl cyanide

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

4593-4361

Molecular Formula

C15H15ClN4O (C15 H15 ClN4 O)

Compound Name

2-(4-chlorophenyl)-5-(4-methylpiperazino)-1,3-oxazol-4-yl cyanide

IUPAC name

2-(4-chlorophenyl)-5-(4-methylpiperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

CN(CC1)CCN1c1c(C#N)nc(-c(cc2)ccc2Cl)o1

InChI

InChI=1S/C15H15ClN4O/c1-19-6-8-20(9-7-19)15-13(10-17)18-14(21-15)11-2-4-12(16)5-3-11/h2-5H,6-9H2,1H3

InChI Key

JQJDLGNTOHWMGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02970030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-3.49

Polar Surface Area

43.231

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

4593-4361 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4593-4361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-4361?
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What is the minimum amount of 4593-4361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-4361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-4361
  • 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 4593-4361 available by request