R091-0001 Screening compound: 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

R091-0001 Screening compound: 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
R091-0001 Screening compound: 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R091-0001
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

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

R091-0001

Molecular Formula

C12H12N2O3 (C12 H12 N2 O3)

Compound Name

1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

IUPAC name

1-ethyl-7-methyl-4-oxo-14-dihydro-18-naphthyridine-3-carboxylic acid

SMILES

CCN(C=C1C(O)=O)c(nc(C)cc2)c2C1=O

InChI

InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)

InChI Key

MHWLWQUZZRMNGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00006884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.053

Distribution Coefficient, logD

-1.596

Water Solubility, LogSw

-2.91

Polar Surface Area

53.672

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

R091-0001 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with R091-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R091-0001?
Check Price and Availability of R091-0001, 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 R091-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R091-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R091-0001
  • 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 R091-0001 available by request