4023-0280 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0280 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0280 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4023-0280
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

4023-0280

Molecular Formula

C27H26ClF3N2O2 (C27 H26 ClF3 N2 O2)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-277-trimethyl-4-(4-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3ccc(C)cc3)C(Nc(cc(C(F)(F)F)cc3)c3Cl)=O)=C2C1=O

InChI

InChI=1S/C27H26ClF3N2O2/c1-14-5-7-16(8-6-14)23-22(15(2)32-20-12-26(3,4)13-21(34)24(20)23)25(35)33-19-11-17(27(29,30)31)9-10-18(19)28/h5-11,23,32H,12-13H2,1-4H3,(H,33,35)/t23-/m0/s1

InChI Key

WTXJDVFNORIDNB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02953092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.286

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-6.37

Polar Surface Area

46.315

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4023-0280 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 4023-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0280?
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What is the minimum amount of 4023-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0280
  • 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 4023-0280 available by request