D465-0266 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

D465-0266 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
D465-0266 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(3-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0266
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[4-(3-fluorobenzoyl)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

D465-0266

Molecular Formula

C25H23FN4O4 (C25 H23 FN4 O4)

Compound Name

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

IUPAC name

2-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-5-[4-(3-fluorobenzoyl)piperazin-1-yl]-13-oxazole-4-carbonitrile

SMILES

COc(ccc(/C=C/c1nc(C#N)c(N(CC2)CCN2C(c2cccc(F)c2)=O)o1)c1)c1OC

InChI

InChI=1S/C25H23FN4O4/c1-32-21-8-6-17(14-22(21)33-2)7-9-23-28-20(16-27)25(34-23)30-12-10-29(11-13-30)24(31)18-4-3-5-19(26)15-18/h3-9,14-15H,10-13H2,1-2H3

InChI Key

DAQVEFALBZJTQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.48

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

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.72

Polar Surface Area

71.137

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D465-0266 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 D465-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0266?
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What is the minimum amount of D465-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0266
  • 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 D465-0266 available by request