7656-0772 Screening compound: 2-(1-oxo-1H-isochromene-3-amido)benzoic acid

7656-0772 Screening compound: 2-(1-oxo-1H-isochromene-3-amido)benzoic acid
7656-0772 Screening compound: 2-(1-oxo-1H-isochromene-3-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7656-0772
2-(1-oxo-1H-isochromene-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

7656-0772

Molecular Formula

C17H11NO5 (C17 H11 NO5)

Compound Name

2-(1-oxo-1H-isochromene-3-amido)benzoic acid

IUPAC name

2-(1-oxo-1H-isochromene-3-amido)benzoic acid

SMILES

OC(c(cccc1)c1NC(C(O1)=Cc(cccc2)c2C1=O)=O)=O

InChI

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

InChI Key

MPGDYHLKHDBRKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06438896

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

3.207

Distribution Coefficient, logD

-1.210

Water Solubility, LogSw

-3.67

Polar Surface Area

73.447

Acid Dissociation Constant (pKa)

2.98

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7656-0772 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7656-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7656-0772?
Check Price and Availability of 7656-0772, 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 7656-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7656-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7656-0772
  • 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 7656-0772 available by request