C276-0494 Screening compound: 5,6,7-trimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

C276-0494 Screening compound: 5,6,7-trimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one
C276-0494 Screening compound: 5,6,7-trimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0494
5,6,7-trimethoxy-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

C276-0494

Molecular Formula

C24H23NO5 (C24 H23 NO5)

Compound Name

5,6,7-trimethoxy-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

567-trimethoxy-4-(3-phenoxyphenyl)-1234-tetrahydroquinolin-2-one

SMILES

COc1cc(NC(CC2c3cc(Oc4ccccc4)ccc3)=O)c2c(OC)c1OC

InChI

InChI=1S/C24H23NO5/c1-27-20-14-19-22(24(29-3)23(20)28-2)18(13-21(26)25-19)15-8-7-11-17(12-15)30-16-9-5-4-6-10-16/h4-12,14,18H,13H2,1-3H3,(H,25,26)/t18-/m1/s1

InChI Key

AZPMGGZNECBHFQ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06007954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.404

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.49

Polar Surface Area

54.600

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C276-0494 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C276-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0494?
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What is the minimum amount of C276-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0494
  • 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 C276-0494 available by request