C276-1353 Screening compound: 4-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1353 Screening compound: 4-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1353 Screening compound: 4-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1353
4-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

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

C276-1353

Molecular Formula

C16H14F3NO2 (C16 H14 F3 NO2)

Compound Name

4-[3-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

IUPAC name

4-[3-(trifluoromethyl)phenyl]-12345678-octahydroquinoline-25-dione

SMILES

O=C(CCC1)C(C(C2)c3cccc(C(F)(F)F)c3)=C1NC2=O

InChI

InChI=1S/C16H14F3NO2/c17-16(18,19)10-4-1-3-9(7-10)11-8-14(22)20-12-5-2-6-13(21)15(11)12/h1,3-4,7,11H,2,5-6,8H2,(H,20,22)/t11-/m0/s1

InChI Key

DJMOJUFBMREVCO-NSHDSACASA-N

MDL Number (MFCD)

MFCD07402465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.693

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-3.17

Polar Surface Area

38.006

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C276-1353 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C276-1353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1353?
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What is the minimum amount of C276-1353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1353
  • 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 C276-1353 available by request