G491-0602 Screening compound: N-(4-chlorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

G491-0602 Screening compound: N-(4-chlorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
G491-0602 Screening compound: N-(4-chlorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0602
N-(4-chlorophenyl)-7-(furan-2-yl)-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

G491-0602

Molecular Formula

C20H15ClN2O4 (C20 H15 ClN2 O4)

Compound Name

N-(4-chlorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-7-(furan-2-yl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CC(C2)c3ccco3)=O)=C2NC1=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C20H15ClN2O4/c21-12-3-5-13(6-4-12)22-19(25)15-10-14-16(23-20(15)26)8-11(9-17(14)24)18-2-1-7-27-18/h1-7,10-11H,8-9H2,(H,22,25)(H,23,26)/t11-/m0/s1

InChI Key

IKRSVNQTCGKENY-NSHDSACASA-N

MDL Number (MFCD)

MFCD09785622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.8

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

3.163

Distribution Coefficient, logD

-0.487

Water Solubility, LogSw

-3.51

Polar Surface Area

69.733

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

G491-0602 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G491-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0602?
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What is the minimum amount of G491-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0602
  • 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 G491-0602 available by request