C142-0220 Screening compound: 3-(2-methoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

C142-0220 Screening compound: 3-(2-methoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
C142-0220 Screening compound: 3-(2-methoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C142-0220
3-(2-methoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

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

C142-0220

Molecular Formula

C24H26F3NO6 (C24 H26 F3 NO6)

Compound Name

3-(2-methoxyethyl) 6-methyl 2,7-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

3-(2-methoxyethyl) 6-methyl 27-dimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CC(CC1=C2C(c3ccc(C(F)(F)F)cc3)C(C(OCCOC)=O)=C(C)N1)C(C(OC)=O)C2=O

InChI

InChI=1S/C24H26F3NO6/c1-12-11-16-20(21(29)17(12)22(30)33-4)19(14-5-7-15(8-6-14)24(25,26)27)18(13(2)28-16)23(31)34-10-9-32-3/h5-8,12,17,19,28H,9-11H2,1-4H3

InChI Key

DUNPYPXRMFSIDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06194026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

-0.569

Water Solubility, LogSw

-3.47

Polar Surface Area

74.384

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.80

C142-0220 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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 C142-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C142-0220?
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What is the minimum amount of C142-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C142-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C142-0220
  • 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 C142-0220 available by request