D151-0525 Screening compound: 5-(cyclohexylamino)-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0525 Screening compound: 5-(cyclohexylamino)-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0525 Screening compound: 5-(cyclohexylamino)-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0525
5-(cyclohexylamino)-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

D151-0525

Molecular Formula

C21H25N3O4 (C21 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(/C=C/c2nc(C#N)c(NC3CCCCC3)o2)cc(OC)c1OC

InChI

InChI=1S/C21H25N3O4/c1-25-17-11-14(12-18(26-2)20(17)27-3)9-10-19-24-16(13-22)21(28-19)23-15-7-5-4-6-8-15/h9-12,15,23H,4-8H2,1-3H3

InChI Key

WLGKPXCDZMJVQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.20

Polar Surface Area

68.646

Acid Dissociation Constant (pKa)

15.86

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D151-0525 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 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 D151-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0525?
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What is the minimum amount of D151-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0525
  • 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 D151-0525 available by request