3716-0172 Screening compound: 4-(2,3-dichlorophenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0172 Screening compound: 4-(2,3-dichlorophenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0172 Screening compound: 4-(2,3-dichlorophenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0172
4-(2,3-dichlorophenyl)-2-methyl-N-(5-methylpyridin-2-yl)-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

3716-0172

Molecular Formula

C23H21Cl2N3O2 (C23 H21 Cl2 N3 O2)

Compound Name

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

IUPAC name

4-(23-dichlorophenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc(cc1)cnc1NC(C(C1c2cccc(Cl)c2Cl)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C23H21Cl2N3O2/c1-12-9-10-18(26-11-12)28-23(30)19-13(2)27-16-7-4-8-17(29)21(16)20(19)14-5-3-6-15(24)22(14)25/h3,5-6,9-11,20,27H,4,7-8H2,1-2H3,(H,26,28,30)/t20-/m0/s1

InChI Key

AZLOQVQAYLALKF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02953015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.34

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

5.334

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-5.77

Polar Surface Area

56.717

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

3716-0172 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3716-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0172?
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What is the minimum amount of 3716-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0172
  • 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 3716-0172 available by request