C276-1282 Screening compound: 7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione

C276-1282 Screening compound: 7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione
C276-1282 Screening compound: 7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1282
7-(4-fluorophenyl)-4-[2-(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

C276-1282

Molecular Formula

C22H17F4NO2 (C22 H17 F4 NO2)

Compound Name

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

IUPAC name

7-(4-fluorophenyl)-4-[2-(trifluoromethyl)phenyl]-12345678-octahydroquinoline-25-dione

SMILES

O=C(CC(C1)c(cc2)ccc2F)C(C(C2)c3c(C(F)(F)F)cccc3)=C1NC2=O

InChI

InChI=1S/C22H17F4NO2/c23-14-7-5-12(6-8-14)13-9-18-21(19(28)10-13)16(11-20(29)27-18)15-3-1-2-4-17(15)22(24,25)26/h1-8,13,16H,9-11H2,(H,27,29)

InChI Key

UQZUOWTUGFVROZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07613246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-4.56

Polar Surface Area

37.735

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

C276-1282 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-1282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1282?
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What is the minimum amount of C276-1282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1282
  • 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 C276-1282 available by request