3716-0395 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

3716-0395 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
3716-0395 Screening compound: 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3716-0395
4-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(6-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

3716-0395

Molecular Formula

C24H23N3O4 (C24 H23 N3 O4)

Compound Name

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

IUPAC name

4-(2H-13-benzodioxol-5-yl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

Cc1cccc(NC(C(C2c(cc3)cc4c3OCO4)=C(C)NC(CCC3)=C2C3=O)=O)n1

InChI

InChI=1S/C24H23N3O4/c1-13-5-3-8-20(25-13)27-24(29)21-14(2)26-16-6-4-7-17(28)23(16)22(21)15-9-10-18-19(11-15)31-12-30-18/h3,5,8-11,22,26H,4,6-7,12H2,1-2H3,(H,25,27,29)/t22-/m0/s1

InChI Key

ATTHVKFIFXJPCB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02952927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-3.84

Polar Surface Area

73.117

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

3716-0395 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3716-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3716-0395?
Check Price and Availability of 3716-0395, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3716-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3716-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3716-0395
  • 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 3716-0395 available by request