D465-0011 Screening compound: 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

D465-0011 Screening compound: 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile
D465-0011 Screening compound: 5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0011
5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-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

D465-0011

Molecular Formula

C24H22N4O2 (C24 H22 N4 O2)

Compound Name

5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-[(1E)-2-phenylethenyl]-13-oxazole-4-carbonitrile

SMILES

Cc1cccc(C(N(CC2)CCN2c2c(C#N)nc(/C=C/c3ccccc3)o2)=O)c1

InChI

InChI=1S/C24H22N4O2/c1-18-6-5-9-20(16-18)23(29)27-12-14-28(15-13-27)24-21(17-25)26-22(30-24)11-10-19-7-3-2-4-8-19/h2-11,16H,12-15H2,1H3

InChI Key

QCHIVRJFVRCOPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

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

4.077

Distribution Coefficient, logD

4.077

Water Solubility, LogSw

-4.23

Polar Surface Area

55.876

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D465-0011 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 D465-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0011?
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What is the minimum amount of D465-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0011
  • 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 D465-0011 available by request