4023-0032 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0032 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0032 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4023-0032
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-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

4023-0032

Molecular Formula

C27H26ClF3N2O5 (C27 H26 ClF3 N2 O5)

Compound Name

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

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-5-oxo-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CCC1)=C(C2c(cc3OC)cc(OC)c3OC)C1=O)=C2C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O

InChI

InChI=1S/C27H26ClF3N2O5/c1-13-22(26(35)33-18-12-15(27(29,30)31)8-9-16(18)28)23(24-17(32-13)6-5-7-19(24)34)14-10-20(36-2)25(38-4)21(11-14)37-3/h8-12,23,32H,5-7H2,1-4H3,(H,33,35)/t23-/m0/s1

InChI Key

KGNAKQDPRLPQRV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14709415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-5.45

Polar Surface Area

69.293

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4023-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0032?
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What is the minimum amount of 4023-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0032
  • 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 4023-0032 available by request