3716-0211 Screening compound: 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0211 Screening compound: 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0211 Screening compound: 4-(4-chloro-3-nitrophenyl)-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 3716-0211
4-(4-chloro-3-nitrophenyl)-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

3716-0211

Molecular Formula

C22H19ClN4O4 (C22 H19 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CCC1)=C(C2c(cc3)cc([N+]([O-])=O)c3Cl)C1=O)=C2C(Nc1ncccc1)=O

InChI

InChI=1S/C22H19ClN4O4/c1-12-19(22(29)26-18-7-2-3-10-24-18)20(21-15(25-12)5-4-6-17(21)28)13-8-9-14(23)16(11-13)27(30)31/h2-3,7-11,20,25H,4-6H2,1H3,(H,24,26,29)/t20-/m0/s1

InChI Key

NHYFMAWZHFLBOB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03933871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

1.949

Water Solubility, LogSw

-4.00

Polar Surface Area

89.708

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

3716-0211 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 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 3716-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0211?
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What is the minimum amount of 3716-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0211
  • 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 3716-0211 available by request