3716-0197 Screening compound: 4-(4-chlorophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0197 Screening compound: 4-(4-chlorophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0197 Screening compound: 4-(4-chlorophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0197
4-(4-chlorophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-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

3716-0197

Molecular Formula

C22H20ClN3O2 (C22 H20 ClN3 O2)

Compound Name

4-(4-chlorophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

4-(4-chlorophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CCC1)=C(C2c(cc3)ccc3Cl)C1=O)=C2C(Nc1ncccc1)=O

InChI

InChI=1S/C22H20ClN3O2/c1-13-19(22(28)26-18-7-2-3-12-24-18)20(14-8-10-15(23)11-9-14)21-16(25-13)5-4-6-17(21)27/h2-3,7-12,20,25H,4-6H2,1H3,(H,24,26,28)/t20-/m0/s1

InChI Key

SMHKIZYJELWBBQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02953019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

2.283

Water Solubility, LogSw

-4.82

Polar Surface Area

56.627

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

3716-0197 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3716-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0197?
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What is the minimum amount of 3716-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0197
  • 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 3716-0197 available by request