D465-0056 Screening compound: 2-[(1E)-2-(4-methylphenyl)ethenyl]-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

D465-0056 Screening compound: 2-[(1E)-2-(4-methylphenyl)ethenyl]-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
D465-0056 Screening compound: 2-[(1E)-2-(4-methylphenyl)ethenyl]-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0056
2-[(1E)-2-(4-methylphenyl)ethenyl]-5-[4-(2-phenoxyacetyl)piperazin-1-yl]-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

D465-0056

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(/C=C/c2nc(C#N)c(N(CC3)CCN3C(COc3ccccc3)=O)o2)cc1

InChI

InChI=1S/C25H24N4O3/c1-19-7-9-20(10-8-19)11-12-23-27-22(17-26)25(32-23)29-15-13-28(14-16-29)24(30)18-31-21-5-3-2-4-6-21/h2-12H,13-16,18H2,1H3

InChI Key

VOTHPONXPCXDMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.00

Polar Surface Area

62.848

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D465-0056 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D465-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0056?
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What is the minimum amount of D465-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0056
  • 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 D465-0056 available by request