0237-0039 Screening compound: 2-(2-oxo-2H-chromene-3-amido)benzoic acid

0237-0039 Screening compound: 2-(2-oxo-2H-chromene-3-amido)benzoic acid
0237-0039 Screening compound: 2-(2-oxo-2H-chromene-3-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0237-0039
2-(2-oxo-2H-chromene-3-amido)benzoic 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

0237-0039

Molecular Formula

C17H11NO5 (C17 H11 NO5)

Compound Name

2-(2-oxo-2H-chromene-3-amido)benzoic acid

IUPAC name

2-(2-oxo-2H-chromene-3-amido)benzoic acid

SMILES

OC(c(cccc1)c1NC(C1=Cc(cccc2)c2OC1=O)=O)=O

InChI

InChI=1S/C17H11NO5/c19-15(18-13-7-3-2-6-11(13)16(20)21)12-9-10-5-1-4-8-14(10)23-17(12)22/h1-9H,(H,18,19)(H,20,21)

InChI Key

FQSUQGVITRNPDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00249926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.063

Distribution Coefficient, logD

-1.355

Water Solubility, LogSw

-3.69

Polar Surface Area

71.962

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0237-0039 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0237-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0237-0039?
Check Price and Availability of 0237-0039, 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 0237-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0237-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0237-0039
  • 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 0237-0039 available by request