D465-0255 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

D465-0255 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
D465-0255 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0255
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(4-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

D465-0255

Molecular Formula

C26H26N4O4 (C26 H26 N4 O4)

Compound Name

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

IUPAC name

2-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-5-[4-(4-methylbenzoyl)piperazin-1-yl]-13-oxazole-4-carbonitrile

SMILES

Cc(cc1)ccc1C(N(CC1)CCN1c1c(C#N)nc(/C=C/c(cc2)cc(OC)c2OC)o1)=O

InChI

InChI=1S/C26H26N4O4/c1-18-4-8-20(9-5-18)25(31)29-12-14-30(15-13-29)26-21(17-27)28-24(34-26)11-7-19-6-10-22(32-2)23(16-19)33-3/h4-11,16H,12-15H2,1-3H3

InChI Key

IWVVLLJGPLWPHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

3.915

Water Solubility, LogSw

-4.02

Polar Surface Area

71.137

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

D465-0255 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 D465-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0255?
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What is the minimum amount of D465-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0255
  • 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 D465-0255 available by request