G491-0856 Screening compound: N-(5-chloro-2-methylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

G491-0856 Screening compound: N-(5-chloro-2-methylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
G491-0856 Screening compound: N-(5-chloro-2-methylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0856
N-(5-chloro-2-methylphenyl)-7-(4-methoxyphenyl)-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

G491-0856

Molecular Formula

C24H21ClN2O4 (C24 H21 ClN2 O4)

Compound Name

N-(5-chloro-2-methylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-7-(4-methoxyphenyl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

Cc(ccc(Cl)c1)c1NC(C1=CC(C(CC(C2)c(cc3)ccc3OC)=O)=C2NC1=O)=O

InChI

InChI=1S/C24H21ClN2O4/c1-13-3-6-16(25)11-20(13)26-23(29)19-12-18-21(27-24(19)30)9-15(10-22(18)28)14-4-7-17(31-2)8-5-14/h3-8,11-12,15H,9-10H2,1-2H3,(H,26,29)(H,27,30)/t15-/m0/s1

InChI Key

JXZPTTMNUUYVQY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD22390227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

0.304

Water Solubility, LogSw

-4.71

Polar Surface Area

68.000

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

G491-0856 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 G491-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0856?
Check Price and Availability of G491-0856, 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 G491-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0856
  • 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 G491-0856 available by request