D151-0393 Screening compound: 5-(4-benzylpiperazin-1-yl)-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0393 Screening compound: 5-(4-benzylpiperazin-1-yl)-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0393 Screening compound: 5-(4-benzylpiperazin-1-yl)-2-[(1E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0393
5-(4-benzylpiperazin-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

D151-0393

Molecular Formula

C24H24N4O2 (C24 H24 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(/C=C/c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)c1

InChI

InChI=1S/C24H24N4O2/c1-29-21-9-5-8-19(16-21)10-11-23-26-22(17-25)24(30-23)28-14-12-27(13-15-28)18-20-6-3-2-4-7-20/h2-11,16H,12-15,18H2,1H3

InChI Key

CENJXWPSNBYMDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.39

Polar Surface Area

50.505

Acid Dissociation Constant (pKa)

26.94

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D151-0393 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 D151-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0393?
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What is the minimum amount of D151-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0393
  • 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 D151-0393 available by request