G491-0456 Screening compound: ethyl 4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate

G491-0456 Screening compound: ethyl 4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate
G491-0456 Screening compound: ethyl 4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G491-0456
ethyl 4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate

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

G491-0456

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

ethyl 4-(2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-amido)benzoate

IUPAC name

ethyl 4-(25-dioxo-7-phenyl-125678-hexahydroquinoline-3-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C1=CC(C(CC(C2)c3ccccc3)=O)=C2NC1=O)=O)=O

InChI

InChI=1S/C25H22N2O5/c1-2-32-25(31)16-8-10-18(11-9-16)26-23(29)20-14-19-21(27-24(20)30)12-17(13-22(19)28)15-6-4-3-5-7-15/h3-11,14,17H,2,12-13H2,1H3,(H,26,29)(H,27,30)/t17-/m0/s1

InChI Key

BVTVPWBFJVJPBI-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

0.272

Water Solubility, LogSw

-4.14

Polar Surface Area

81.908

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with G491-0456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G491-0456?
Check Price and Availability of G491-0456, 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 G491-0456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G491-0456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G491-0456
  • 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 G491-0456 available by request