G487-0575 Screening compound: N-[(3-bromophenyl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide

G487-0575 Screening compound: N-[(3-bromophenyl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide
G487-0575 Screening compound: N-[(3-bromophenyl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G487-0575
N-[(3-bromophenyl)methyl]-2-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]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

G487-0575

Molecular Formula

C24H21BrN4O3 (C24 H21 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C=C(C)N(CC(Nc(cccc1)c1C(NCc1cccc(Br)c1)=O)=O)C1=O)=C1C#N

InChI

InChI=1S/C24H21BrN4O3/c1-15-10-16(2)29(24(32)20(15)12-26)14-22(30)28-21-9-4-3-8-19(21)23(31)27-13-17-6-5-7-18(25)11-17/h3-11H,13-14H2,1-2H3,(H,27,31)(H,28,30)

InChI Key

VFTRWMQIRZHIJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15014412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.36

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

3.392

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.85

Polar Surface Area

79.348

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G487-0575 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G487-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G487-0575?
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What is the minimum amount of G487-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G487-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G487-0575
  • 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 G487-0575 available by request