G491-0262 Screening compound: 7-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

G491-0262 Screening compound: 7-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
G491-0262 Screening compound: 7-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0262
7-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-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

G491-0262

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

7-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

7-(34-dimethoxyphenyl)-N-(23-dimethylphenyl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

Cc1cccc(NC(C2=CC(C(CC(C3)c(cc4)cc(OC)c4OC)=O)=C3NC2=O)=O)c1C

InChI

InChI=1S/C26H26N2O5/c1-14-6-5-7-20(15(14)2)27-25(30)19-13-18-21(28-26(19)31)10-17(11-22(18)29)16-8-9-23(32-3)24(12-16)33-4/h5-9,12-13,17H,10-11H2,1-4H3,(H,27,30)(H,28,31)/t17-/m0/s1

InChI Key

MYZPGAQZTJNBFX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27142351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

-0.009

Water Solubility, LogSw

-4.08

Polar Surface Area

75.717

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

G491-0262 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G491-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0262?
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What is the minimum amount of G491-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0262
  • 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 G491-0262 available by request