D465-0475 Screening compound: 2-[(1E)-2-(3-methoxyphenyl)ethenyl]-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

D465-0475 Screening compound: 2-[(1E)-2-(3-methoxyphenyl)ethenyl]-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
D465-0475 Screening compound: 2-[(1E)-2-(3-methoxyphenyl)ethenyl]-5-[4-(2-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0475
2-[(1E)-2-(3-methoxyphenyl)ethenyl]-5-[4-(2-methylbenzoyl)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

D465-0475

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1C(N(CC1)CCN1c1c(C#N)nc(/C=C/c2cc(OC)ccc2)o1)=O

InChI

InChI=1S/C25H24N4O3/c1-18-6-3-4-9-21(18)24(30)28-12-14-29(15-13-28)25-22(17-26)27-23(32-25)11-10-19-7-5-8-20(16-19)31-2/h3-11,16H,12-15H2,1-2H3

InChI Key

WXOVLYZXPQIZRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763466

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.40

Polar Surface Area

63.420

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D465-0475 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 D465-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0475?
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What is the minimum amount of D465-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0475
  • 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 D465-0475 available by request