8016-8095 Screening compound: N~3~-(2-hydroxyethyl)-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamide

8016-8095 Screening compound: N~3~-(2-hydroxyethyl)-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamide
8016-8095 Screening compound: N~3~-(2-hydroxyethyl)-1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8095
N~3~-(2-hydroxyethyl)-1-methyl-4-oxo-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

8016-8095

Molecular Formula

C13H14N2O3 (C13 H14 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-15-8-10(13(18)14-6-7-16)12(17)9-4-2-3-5-11(9)15/h2-5,8,16H,6-7H2,1H3,(H,14,18)

InChI Key

AYQGEUWIHHLBQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.27

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

-0.224

Distribution Coefficient, logD

-0.224

Water Solubility, LogSw

-2.26

Polar Surface Area

56.731

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

8016-8095 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8016-8095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8095?
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What is the minimum amount of 8016-8095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8095
  • 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 8016-8095 available by request