3716-0176 Screening compound: 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0176 Screening compound: 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0176 Screening compound: 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0176
4-(2,3-dichlorophenyl)-2,7,7-trimethyl-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

3716-0176

Molecular Formula

C24H23Cl2N3O2 (C24 H23 Cl2 N3 O2)

Compound Name

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

IUPAC name

4-(23-dichlorophenyl)-277-trimethyl-5-oxo-N-(pyridin-2-yl)-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cccc(Cl)c3Cl)C(Nc3ncccc3)=O)=C2C1=O

InChI

InChI=1S/C24H23Cl2N3O2/c1-13-19(23(31)29-18-9-4-5-10-27-18)20(14-7-6-8-15(25)22(14)26)21-16(28-13)11-24(2,3)12-17(21)30/h4-10,20,28H,11-12H2,1-3H3,(H,27,29,31)/t20-/m0/s1

InChI Key

ILKMTJBLRHQKCI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02952869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.37

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

5.319

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-5.80

Polar Surface Area

56.627

Acid Dissociation Constant (pKa)

5.54

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

3716-0176 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 3716-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0176?
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What is the minimum amount of 3716-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0176
  • 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 3716-0176 available by request