D151-0449 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile

D151-0449 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
D151-0449 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0449
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[2-(4-methoxyphenyl)ethyl]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

D151-0449

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CCNc2c(C#N)nc(/C=C/c(cc3)cc(OC)c3OC)o2)cc1

InChI

InChI=1S/C23H23N3O4/c1-27-18-8-4-16(5-9-18)12-13-25-23-19(15-24)26-22(30-23)11-7-17-6-10-20(28-2)21(14-17)29-3/h4-11,14,25H,12-13H2,1-3H3

InChI Key

ZWFWXINLOQAMDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-4.14

Polar Surface Area

68.589

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D151-0449 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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 D151-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0449?
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What is the minimum amount of D151-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0449
  • 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 D151-0449 available by request