4023-0151 Screening compound: 4-(3-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0151 Screening compound: 4-(3-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0151 Screening compound: 4-(3-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4023-0151
4-(3-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-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

4023-0151

Molecular Formula

C24H20ClF3N2O2 (C24 H20 ClF3 N2 O2)

Compound Name

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

IUPAC name

4-(3-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CCC1)=C(C2c3cccc(Cl)c3)C1=O)=C2C(Nc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C24H20ClF3N2O2/c1-13-20(23(32)30-17-8-3-6-15(12-17)24(26,27)28)21(14-5-2-7-16(25)11-14)22-18(29-13)9-4-10-19(22)31/h2-3,5-8,11-12,21,29H,4,9-10H2,1H3,(H,30,32)/t21-/m0/s1

InChI Key

BJGLNJIZLHXDEC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03081369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.88

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

5.472

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-6.05

Polar Surface Area

47.012

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4023-0151 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 4023-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0151?
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What is the minimum amount of 4023-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0151
  • 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 4023-0151 available by request