C276-1236 Screening compound: 6,7-diethoxy-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one

C276-1236 Screening compound: 6,7-diethoxy-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one
C276-1236 Screening compound: 6,7-diethoxy-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1236
6,7-diethoxy-4-[4-(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

C276-1236

Molecular Formula

C20H20F3NO3 (C20 H20 F3 NO3)

Compound Name

6,7-diethoxy-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

67-diethoxy-4-[4-(trifluoromethyl)phenyl]-1234-tetrahydroquinolin-2-one

SMILES

CCOc(c(OCC)c1)cc(C(C2)c3ccc(C(F)(F)F)cc3)c1NC2=O

InChI

InChI=1S/C20H20F3NO3/c1-3-26-17-9-15-14(12-5-7-13(8-6-12)20(21,22)23)10-19(25)24-16(15)11-18(17)27-4-2/h5-9,11,14H,3-4,10H2,1-2H3,(H,24,25)/t14-/m0/s1

InChI Key

LZNWLQJPBZROKY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07402420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.64

Polar Surface Area

39.208

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C276-1236 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C276-1236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1236?
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What is the minimum amount of C276-1236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1236
  • 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 C276-1236 available by request