G491-0860 Screening compound: 2,5-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

G491-0860 Screening compound: 2,5-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
G491-0860 Screening compound: 2,5-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0860
2,5-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

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

G491-0860

Molecular Formula

C17H13F3N2O3 (C17 H13 F3 N2 O3)

Compound Name

2,5-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

25-dioxo-N-[3-(trifluoromethyl)phenyl]-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CCC2)=O)=C2NC1=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C17H13F3N2O3/c18-17(19,20)9-3-1-4-10(7-9)21-15(24)12-8-11-13(22-16(12)25)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6H2,(H,21,24)(H,22,25)

InChI Key

MYIKLOHOUFWSMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26112061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

-0.509

Water Solubility, LogSw

-3.15

Polar Surface Area

61.426

Acid Dissociation Constant (pKa)

4.20

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G491-0860 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G491-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0860?
Check Price and Availability of G491-0860, 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 G491-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0860
  • 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 G491-0860 available by request