C276-0023 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

C276-0023 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one
C276-0023 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0023
4-[4-(benzyloxy)-3-methoxyphenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

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

C276-0023

Molecular Formula

C25H25NO5 (C25 H25 NO5)

Compound Name

4-[4-(benzyloxy)-3-methoxyphenyl]-6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

4-[4-(benzyloxy)-3-methoxyphenyl]-67-dimethoxy-1234-tetrahydroquinolin-2-one

SMILES

COc(cc(C(C1)c(cc(c(OC)c2)OC)c2NC1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C25H25NO5/c1-28-22-11-17(9-10-21(22)31-15-16-7-5-4-6-8-16)18-13-25(27)26-20-14-24(30-3)23(29-2)12-19(18)20/h4-12,14,18H,13,15H2,1-3H3,(H,26,27)/t18-/m1/s1

InChI Key

WFLOKVCGAWZJDI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05238837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.73

Polar Surface Area

54.993

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C276-0023 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C276-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0023?
Check Price and Availability of C276-0023, 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 C276-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0023
  • 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 C276-0023 available by request