C276-1179 Screening compound: methyl 4-[7-(2,5-dimethoxyphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate

C276-1179 Screening compound: methyl 4-[7-(2,5-dimethoxyphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate
C276-1179 Screening compound: methyl 4-[7-(2,5-dimethoxyphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1179
methyl 4-[7-(2,5-dimethoxyphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]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

C276-1179

Molecular Formula

C25H25NO6 (C25 H25 NO6)

Compound Name

methyl 4-[7-(2,5-dimethoxyphenyl)-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl]benzoate

IUPAC name

methyl 4-[7-(25-dimethoxyphenyl)-25-dioxo-12345678-octahydroquinolin-4-yl]benzoate

SMILES

COC(c1ccc(C(C2)C(C(CC(C3)c(cc(cc4)OC)c4OC)=O)=C3NC2=O)cc1)=O

InChI

InChI=1S/C25H25NO6/c1-30-17-8-9-22(31-2)18(12-17)16-10-20-24(21(27)11-16)19(13-23(28)26-20)14-4-6-15(7-5-14)25(29)32-3/h4-9,12,16,19H,10-11,13H2,1-3H3,(H,26,28)

InChI Key

IXTWDKQQODHWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06759615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-4.18

Polar Surface Area

74.083

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.00

C276-1179 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C276-1179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1179?
Check Price and Availability of C276-1179, 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 C276-1179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1179
  • 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 C276-1179 available by request