D465-0439 Screening compound: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile

D465-0439 Screening compound: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
D465-0439 Screening compound: 5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0439
5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-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

D465-0439

Molecular Formula

C21H17ClN4O2S (C21 H17 ClN4 O2 S)

Compound Name

5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(thiophen-2-yl)ethenyl]-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N(CC2)CCN2C(c(cccc2)c2Cl)=O)oc(/C=C/c2cccs2)n1

InChI

InChI=1S/C21H17ClN4O2S/c22-17-6-2-1-5-16(17)20(27)25-9-11-26(12-10-25)21-18(14-23)24-19(28-21)8-7-15-4-3-13-29-15/h1-8,13H,9-12H2

InChI Key

ZYMRJYOYTITFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-4.15

Polar Surface Area

56.895

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D465-0439 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D465-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0439?
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What is the minimum amount of D465-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0439
  • 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 D465-0439 available by request