D465-0222 Screening compound: 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D465-0222 Screening compound: 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D465-0222 Screening compound: 5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0222
5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-[(1E)-2-(2-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

D465-0222

Molecular Formula

C24H21FN4O3 (C24 H21 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C/c2nc(C#N)c(N(CC3)CCN3C(c(cc3)ccc3F)=O)o2)cccc1

InChI

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

InChI Key

YKAPSUVKJRZPQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09763260

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

3.931

Distribution Coefficient, logD

3.931

Water Solubility, LogSw

-4.13

Polar Surface Area

63.507

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D465-0222 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 D465-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0222?
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What is the minimum amount of D465-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0222
  • 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 D465-0222 available by request