G491-0854 Screening compound: N-(5-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

G491-0854 Screening compound: N-(5-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
G491-0854 Screening compound: N-(5-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0854
N-(5-chloro-2-methylphenyl)-2,5-dioxo-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

G491-0854

Molecular Formula

C17H15ClN2O3 (C17 H15 ClN2 O3)

Compound Name

N-(5-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(C1=CC(C(CCC2)=O)=C2NC1=O)=O

InChI

InChI=1S/C17H15ClN2O3/c1-9-5-6-10(18)7-14(9)20-17(23)12-8-11-13(19-16(12)22)3-2-4-15(11)21/h5-8H,2-4H2,1H3,(H,19,22)(H,20,23)

InChI Key

ZYUCDEFZZVYXCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26112083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

-0.896

Water Solubility, LogSw

-3.28

Polar Surface Area

60.728

Acid Dissociation Constant (pKa)

4.20

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G491-0854 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 G491-0854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0854?
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What is the minimum amount of G491-0854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0854
  • 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 G491-0854 available by request