D151-0431 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile

D151-0431 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
D151-0431 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0431
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-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

D151-0431

Molecular Formula

C18H19N3O3 (C18 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(/C=C/c1nc(C#N)c(N2CCCC2)o1)c1)c1OC

InChI

InChI=1S/C18H19N3O3/c1-22-15-7-5-13(11-16(15)23-2)6-8-17-20-14(12-19)18(24-17)21-9-3-4-10-21/h5-8,11H,3-4,9-10H2,1-2H3

InChI Key

XBVVYCJILMLSGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.409

Distribution Coefficient, logD

3.409

Water Solubility, LogSw

-3.57

Polar Surface Area

55.047

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D151-0431 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D151-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0431?
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What is the minimum amount of D151-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0431
  • 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 D151-0431 available by request