C276-0558 Screening compound: 6,7-dimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

C276-0558 Screening compound: 6,7-dimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one
C276-0558 Screening compound: 6,7-dimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0558
6,7-dimethoxy-4-(3-phenoxyphenyl)-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

C276-0558

Molecular Formula

C23H21NO4 (C23 H21 NO4)

Compound Name

6,7-dimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

67-dimethoxy-4-(3-phenoxyphenyl)-1234-tetrahydroquinolin-2-one

SMILES

COc(c(OC)c1)cc(C(C2)c3cc(Oc4ccccc4)ccc3)c1NC2=O

InChI

InChI=1S/C23H21NO4/c1-26-21-12-19-18(13-23(25)24-20(19)14-22(21)27-2)15-7-6-10-17(11-15)28-16-8-4-3-5-9-16/h3-12,14,18H,13H2,1-2H3,(H,24,25)/t18-/m1/s1

InChI Key

OYOSHGSYBNARND-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06754286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.18

Polar Surface Area

46.796

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C276-0558 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C276-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0558?
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What is the minimum amount of C276-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0558
  • 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 C276-0558 available by request