C276-1246 Screening compound: 5,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one

C276-1246 Screening compound: 5,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one
C276-1246 Screening compound: 5,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1246
5,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-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

C276-1246

Molecular Formula

C18H16F3NO3 (C18 H16 F3 NO3)

Compound Name

5,7-dimethoxy-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

57-dimethoxy-4-[2-(trifluoromethyl)phenyl]-1234-tetrahydroquinolin-2-one

SMILES

COc1cc(OC)c(C(CC(N2)=O)c3c(C(F)(F)F)cccc3)c2c1

InChI

InChI=1S/C18H16F3NO3/c1-24-10-7-14-17(15(8-10)25-2)12(9-16(23)22-14)11-5-3-4-6-13(11)18(19,20)21/h3-8,12H,9H2,1-2H3,(H,22,23)/t12-/m0/s1

InChI Key

LDZKDNUBEJNZCQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07402423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.741

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.18

Polar Surface Area

39.962

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

C276-1246 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C276-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1246?
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What is the minimum amount of C276-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1246
  • 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 C276-1246 available by request