8017-2431 Screening compound: 1-methyl-4-oxo-N~3~-(2-pyridyl)-1,4-dihydro-3-quinolinecarboxamide

8017-2431 Screening compound: 1-methyl-4-oxo-N~3~-(2-pyridyl)-1,4-dihydro-3-quinolinecarboxamide
8017-2431 Screening compound: 1-methyl-4-oxo-N~3~-(2-pyridyl)-1,4-dihydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2431
1-methyl-4-oxo-N~3~-(2-pyridyl)-1,4-dihydro-3-quinolinecarboxamide

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

8017-2431

Molecular Formula

C16H13N3O2 (C16 H13 N3 O2)

Compound Name

1-methyl-4-oxo-N~3~-(2-pyridyl)-1,4-dihydro-3-quinolinecarboxamide

IUPAC name

1-methyl-4-oxo-N-(pyridin-2-yl)-14-dihydroquinoline-3-carboxamide

SMILES

CN(C=C1C(Nc2ncccc2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C16H13N3O2/c1-19-10-12(15(20)11-6-2-3-7-13(11)19)16(21)18-14-8-4-5-9-17-14/h2-10H,1H3,(H,17,18,21)

InChI Key

KUIWFFQEYYZVNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-2.71

Polar Surface Area

48.255

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8017-2431 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-2431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2431?
Check Price and Availability of 8017-2431, 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 8017-2431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2431
  • 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 8017-2431 available by request