D151-0491 Screening compound: 5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0491 Screening compound: 5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0491 Screening compound: 5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0491
5-{[(4-methylphenyl)methyl]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

D151-0491

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[(4-methylphenyl)methyl]amino}-2-[(1E)-2-(345-trimethoxyphenyl)ethenyl]-13-oxazole-4-carbonitrile

SMILES

Cc1ccc(CNc2c(C#N)nc(/C=C/c(cc3OC)cc(OC)c3OC)o2)cc1

InChI

InChI=1S/C23H23N3O4/c1-15-5-7-16(8-6-15)14-25-23-18(13-24)26-21(30-23)10-9-17-11-19(27-2)22(29-4)20(12-17)28-3/h5-12,25H,14H2,1-4H3

InChI Key

XABCQGYSVWBUFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06437780

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

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.971

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.08

Polar Surface Area

68.921

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D151-0491 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 D151-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0491?
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What is the minimum amount of D151-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0491
  • 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 D151-0491 available by request