D151-0440 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile

D151-0440 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
D151-0440 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0440
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-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

D151-0440

Molecular Formula

C21H18FN3O3 (C21 H18 FN3 O3)

Compound Name

2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(1E)-2-(34-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-13-oxazole-4-carbonitrile

SMILES

COc(ccc(/C=C/c1nc(C#N)c(NCc(cc2)ccc2F)o1)c1)c1OC

InChI

InChI=1S/C21H18FN3O3/c1-26-18-9-5-14(11-19(18)27-2)6-10-20-25-17(12-23)21(28-20)24-13-15-3-7-16(22)8-4-15/h3-11,24H,13H2,1-2H3

InChI Key

QVVHJFYXHXUHCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-4.09

Polar Surface Area

61.204

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D151-0440 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D151-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0440?
Check Price and Availability of D151-0440, 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 D151-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0440
  • 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 D151-0440 available by request