D465-0078 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

D465-0078 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
D465-0078 Screening compound: 2-[(1E)-2-(4-chlorophenyl)ethenyl]-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D465-0078
2-[(1E)-2-(4-chlorophenyl)ethenyl]-5-[4-(4-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

D465-0078

Molecular Formula

C23H18ClFN4O2 (C23 H18 ClFN4 O2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(N(CC2)CCN2C(c(cc2)ccc2F)=O)oc(/C=C/c(cc2)ccc2Cl)n1

InChI

InChI=1S/C23H18ClFN4O2/c24-18-6-1-16(2-7-18)3-10-21-27-20(15-26)23(31-21)29-13-11-28(12-14-29)22(30)17-4-8-19(25)9-5-17/h1-10H,11-14H2

InChI Key

XHYQESJQIZDJMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.410

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.97

Polar Surface Area

55.876

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D465-0078 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 D465-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D465-0078?
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What is the minimum amount of D465-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D465-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D465-0078
  • 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 D465-0078 available by request