D151-0516 Screening compound: 5-[(4-ethoxyphenyl)amino]-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0516 Screening compound: 5-[(4-ethoxyphenyl)amino]-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0516 Screening compound: 5-[(4-ethoxyphenyl)amino]-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0516
5-[(4-ethoxyphenyl)amino]-2-[(1E)-2-(3,4,5-trimethoxyphenyl)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

D151-0516

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

5-[(4-ethoxyphenyl)amino]-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-[(4-ethoxyphenyl)amino]-2-[(1E)-2-(345-trimethoxyphenyl)ethenyl]-13-oxazole-4-carbonitrile

SMILES

CCOc(cc1)ccc1Nc1c(C#N)nc(/C=C/c(cc2OC)cc(OC)c2OC)o1

InChI

InChI=1S/C23H23N3O5/c1-5-30-17-9-7-16(8-10-17)25-23-18(14-24)26-21(31-23)11-6-15-12-19(27-2)22(29-4)20(13-15)28-3/h6-13,25H,5H2,1-4H3

InChI Key

QWYDVRCQEOKGIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.30

Polar Surface Area

74.723

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-6.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D151-0516 in Drug Discovery

Included in Screening Libraries

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 D151-0516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0516?
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What is the minimum amount of D151-0516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0516
  • 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 D151-0516 available by request