3716-0060 Screening compound: 4-(2,3-dimethoxyphenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0060 Screening compound: 4-(2,3-dimethoxyphenyl)-2-methyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0060 Screening compound: 4-(2,3-dimethoxyphenyl)-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 3716-0060
4-(2,3-dimethoxyphenyl)-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

3716-0060

Molecular Formula

C25H27N3O4 (C25 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cnc1NC(C(C1c(cccc2OC)c2OC)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C25H27N3O4/c1-14-11-12-20(26-13-14)28-25(30)21-15(2)27-17-8-6-9-18(29)23(17)22(21)16-7-5-10-19(31-3)24(16)32-4/h5,7,10-13,22,27H,6,8-9H2,1-4H3,(H,26,28,30)/t22-/m0/s1

InChI Key

SBIJMELSBZUWAB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02953004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

2.345

Water Solubility, LogSw

-4.15

Polar Surface Area

72.064

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

3716-0060 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 3716-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0060?
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What is the minimum amount of 3716-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0060
  • 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 3716-0060 available by request