D151-0470 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

D151-0470 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
D151-0470 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0470
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-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

D151-0470

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

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

IUPAC name

2-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-5-(4-ethylpiperazin-1-yl)-13-oxazole-4-carbonitrile

SMILES

CCN(CC1)CCN1c1c(C#N)nc(/C=C/c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C20H24N4O3/c1-4-23-9-11-24(12-10-23)20-16(14-21)22-19(27-20)8-6-15-5-7-17(25-2)18(13-15)26-3/h5-8,13H,4,9-12H2,1-3H3

InChI Key

FCFYENLSVWLDSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

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

2.864

Distribution Coefficient, logD

2.387

Water Solubility, LogSw

-3.03

Polar Surface Area

58.218

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D151-0470 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D151-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0470?
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What is the minimum amount of D151-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0470
  • 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 D151-0470 available by request