3716-0229 Screening compound: 4-(2,4-dichlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0229 Screening compound: 4-(2,4-dichlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0229 Screening compound: 4-(2,4-dichlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0229
4-(2,4-dichlorophenyl)-2-methyl-N-(4-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

3716-0229

Molecular Formula

C23H21Cl2N3O2 (C23 H21 Cl2 N3 O2)

Compound Name

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

IUPAC name

4-(24-dichlorophenyl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc1cc(NC(C(C2c(ccc(Cl)c3)c3Cl)=C(C)NC(CCC3)=C2C3=O)=O)ncc1

InChI

InChI=1S/C23H21Cl2N3O2/c1-12-8-9-26-19(10-12)28-23(30)20-13(2)27-17-4-3-5-18(29)22(17)21(20)15-7-6-14(24)11-16(15)25/h6-11,21,27H,3-5H2,1-2H3,(H,26,28,30)/t21-/m0/s1

InChI Key

MRRRBEAXPHDOCP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03933859

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

5.189

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-5.51

Polar Surface Area

56.627

Acid Dissociation Constant (pKa)

5.93

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

3716-0229 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 3716-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0229?
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What is the minimum amount of 3716-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0229
  • 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 3716-0229 available by request