D731-0652 Screening compound: 3-(1-oxo-1H-isochromene-3-amido)benzoic acid

D731-0652 Screening compound: 3-(1-oxo-1H-isochromene-3-amido)benzoic acid
D731-0652 Screening compound: 3-(1-oxo-1H-isochromene-3-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0652
3-(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

D731-0652

Molecular Formula

C17H11NO5 (C17 H11 NO5)

Compound Name

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

IUPAC name

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

SMILES

OC(c1cccc(NC(C(O2)=Cc(cccc3)c3C2=O)=O)c1)=O

InChI

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

InChI Key

ZXFQOTPXLNMLJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08741965

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

3.146

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-3.70

Polar Surface Area

74.145

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D731-0652 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D731-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0652?
Check Price and Availability of D731-0652, 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 D731-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0652
  • 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 D731-0652 available by request