D151-0865 Screening compound: 5-(4-phenylpiperazin-1-yl)-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0865 Screening compound: 5-(4-phenylpiperazin-1-yl)-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0865 Screening compound: 5-(4-phenylpiperazin-1-yl)-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0865
5-(4-phenylpiperazin-1-yl)-2-[(1E)-2-(thiophen-2-yl)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

D151-0865

Molecular Formula

C20H18N4OS (C20 H18 N4 OS)

Compound Name

5-(4-phenylpiperazin-1-yl)-2-[(1E)-2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-(4-phenylpiperazin-1-yl)-2-[(1E)-2-(thiophen-2-yl)ethenyl]-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(N(CC2)CCN2c2ccccc2)oc(/C=C/c2cccs2)n1

InChI

InChI=1S/C20H18N4OS/c21-15-18-20(25-19(22-18)9-8-17-7-4-14-26-17)24-12-10-23(11-13-24)16-5-2-1-3-6-16/h1-9,14H,10-13H2

InChI Key

NGRYPLXROFIEHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.094

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.26

Polar Surface Area

43.699

Acid Dissociation Constant (pKa)

27.05

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D151-0865 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 D151-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0865?
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What is the minimum amount of D151-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0865
  • 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 D151-0865 available by request