D465-0202 Screening compound: 2-[(1E)-2-(2-chlorophenyl)ethenyl]-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1,3-oxazole-4-carbonitrile

D465-0202 Screening compound: 2-[(1E)-2-(2-chlorophenyl)ethenyl]-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1,3-oxazole-4-carbonitrile
D465-0202 Screening compound: 2-[(1E)-2-(2-chlorophenyl)ethenyl]-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0202
2-[(1E)-2-(2-chlorophenyl)ethenyl]-5-{4-[2-(3-methylphenoxy)acetyl]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

D465-0202

Molecular Formula

C25H23ClN4O3 (C25 H23 ClN4 O3)

Compound Name

2-[(1E)-2-(2-chlorophenyl)ethenyl]-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(1E)-2-(2-chlorophenyl)ethenyl]-5-{4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl}-13-oxazole-4-carbonitrile

SMILES

Cc1cccc(OCC(N(CC2)CCN2c2c(C#N)nc(/C=C/c(cccc3)c3Cl)o2)=O)c1

InChI

InChI=1S/C25H23ClN4O3/c1-18-5-4-7-20(15-18)32-17-24(31)29-11-13-30(14-12-29)25-22(16-27)28-23(33-25)10-9-19-6-2-3-8-21(19)26/h2-10,15H,11-14,17H2,1H3

InChI Key

KWMVVGDMIHUSKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.94

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

4.589

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.61

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

D465-0202 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D465-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0202?
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What is the minimum amount of D465-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0202
  • 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 D465-0202 available by request