D151-0472 Screening compound: 5-(cyclohexylamino)-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0472 Screening compound: 5-(cyclohexylamino)-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0472 Screening compound: 5-(cyclohexylamino)-2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0472
5-(cyclohexylamino)-2-[(1E)-2-(3,4-dimethoxyphenyl)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

D151-0472

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(/C=C/c1nc(C#N)c(NC2CCCCC2)o1)c1)c1OC

InChI

InChI=1S/C20H23N3O3/c1-24-17-10-8-14(12-18(17)25-2)9-11-19-23-16(13-21)20(26-19)22-15-6-4-3-5-7-15/h8-12,15,22H,3-7H2,1-2H3

InChI Key

SQFRVPXJONVFGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.36

Polar Surface Area

60.929

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D151-0472 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D151-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0472?
Check Price and Availability of D151-0472, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D151-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0472
  • 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 D151-0472 available by request