G491-0601 Screening compound: 7-(furan-2-yl)-2,5-dioxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

G491-0601 Screening compound: 7-(furan-2-yl)-2,5-dioxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
G491-0601 Screening compound: 7-(furan-2-yl)-2,5-dioxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0601
7-(furan-2-yl)-2,5-dioxo-N-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

G491-0601

Molecular Formula

C20H16N2O4 (C20 H16 N2 O4)

Compound Name

7-(furan-2-yl)-2,5-dioxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

7-(furan-2-yl)-25-dioxo-N-phenyl-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CC(C2)c3ccco3)=O)=C2NC1=O)Nc1ccccc1

InChI

InChI=1S/C20H16N2O4/c23-17-10-12(18-7-4-8-26-18)9-16-14(17)11-15(20(25)22-16)19(24)21-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,21,24)(H,22,25)/t12-/m0/s1

InChI Key

DFNDBBVBHRQMNK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD09785538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

-1.273

Water Solubility, LogSw

-2.87

Polar Surface Area

69.733

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

G491-0601 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G491-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0601?
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What is the minimum amount of G491-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0601
  • 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 G491-0601 available by request