D465-0478 Screening compound: 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D465-0478 Screening compound: 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D465-0478 Screening compound: 5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0478
5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-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

D465-0478

Molecular Formula

C24H21FN4O3 (C24 H21 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(/C=C/c2nc(C#N)c(N(CC3)CCN3C(c(cccc3)c3F)=O)o2)c1

InChI

InChI=1S/C24H21FN4O3/c1-31-18-6-4-5-17(15-18)9-10-22-27-21(16-26)24(32-22)29-13-11-28(12-14-29)23(30)19-7-2-3-8-20(19)25/h2-10,15H,11-14H2,1H3

InChI Key

MTMXXIJDHNAUHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.45

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

3.985

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.32

Polar Surface Area

63.420

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D465-0478 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D465-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0478?
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What is the minimum amount of D465-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0478
  • 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 D465-0478 available by request