G487-0492 Screening compound: 4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

G487-0492 Screening compound: 4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide
G487-0492 Screening compound: 4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G487-0492
4-[2-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)acetamido]-N-{[3-(trifluoromethyl)phenyl]methyl}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

G487-0492

Molecular Formula

C25H21F3N4O3 (C25 H21 F3 N4 O3)

Compound Name

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

IUPAC name

4-[2-(3-cyano-46-dimethyl-2-oxo-12-dihydropyridin-1-yl)acetamido]-N-{[3-(trifluoromethyl)phenyl]methyl}benzamide

SMILES

CC(C=C(C)N(CC(Nc(cc1)ccc1C(NCc1cccc(C(F)(F)F)c1)=O)=O)C1=O)=C1C#N

InChI

InChI=1S/C25H21F3N4O3/c1-15-10-16(2)32(24(35)21(15)12-29)14-22(33)31-20-8-6-18(7-9-20)23(34)30-13-17-4-3-5-19(11-17)25(26,27)28/h3-11H,13-14H2,1-2H3,(H,30,34)(H,31,33)

InChI Key

TUUSELDLPCLPQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15014360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.410

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-3.80

Polar Surface Area

80.046

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

G487-0492 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)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G487-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G487-0492?
Check Price and Availability of G487-0492, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G487-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G487-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G487-0492
  • 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 G487-0492 available by request