G487-0462 Screening compound: 4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-(1-phenylethyl)benzamide

G487-0462 Screening compound: 4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-(1-phenylethyl)benzamide
G487-0462 Screening compound: 4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-(1-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G487-0462
4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-(1-phenylethyl)benzamide

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

G487-0462

Molecular Formula

C25H24N4O3 (C25 H24 N4 O3)

Compound Name

4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-(1-phenylethyl)benzamide

IUPAC name

4-[2-(3-cyano-46-dimethyl-2-oxo-12-dihydropyridin-1-yl)acetamido]-N-(1-phenylethyl)benzamide

SMILES

CC(c1ccccc1)NC(c(cc1)ccc1NC(CN(C(C)=CC(C)=C1C#N)C1=O)=O)=O

InChI

InChI=1S/C25H24N4O3/c1-16-13-17(2)29(25(32)22(16)14-26)15-23(30)28-21-11-9-20(10-12-21)24(31)27-18(3)19-7-5-4-6-8-19/h4-13,18H,15H2,1-3H3,(H,27,31)(H,28,30)/t18-/m0/s1

InChI Key

MZYPTQWBLRCDIH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15014341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

2.871

Water Solubility, LogSw

-3.37

Polar Surface Area

79.209

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

G487-0462 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G487-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G487-0462?
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What is the minimum amount of G487-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G487-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G487-0462
  • 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 G487-0462 available by request