D151-0460 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile

D151-0460 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
D151-0460 Screening compound: 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(furan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0460
2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(furan-2-yl)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

D151-0460

Molecular Formula

C19H17N3O4 (C19 H17 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(/C=C/c1nc(C#N)c(NCc2ccco2)o1)c1)c1OC

InChI

InChI=1S/C19H17N3O4/c1-23-16-7-5-13(10-17(16)24-2)6-8-18-22-15(11-20)19(26-18)21-12-14-4-3-9-25-14/h3-10,21H,12H2,1-2H3

InChI Key

ZKXIQAVPNHEDBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

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

3.460

Distribution Coefficient, logD

3.460

Water Solubility, LogSw

-3.71

Polar Surface Area

68.953

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D151-0460 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D151-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0460?
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What is the minimum amount of D151-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0460
  • 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 D151-0460 available by request