0874-0539 Screening compound: 2-[3-oxo-1(3H)-isobenzofuranyliden]acetic acid

0874-0539 Screening compound: 2-[3-oxo-1(3H)-isobenzofuranyliden]acetic acid
0874-0539 Screening compound: 2-[3-oxo-1(3H)-isobenzofuranyliden]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0874-0539
2-[3-oxo-1(3H)-isobenzofuranyliden]acetic 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

0874-0539

Molecular Formula

C10H6O4 (C10 H6 O4)

Compound Name

2-[3-oxo-1(3H)-isobenzofuranyliden]acetic acid

IUPAC name

2-[(1Z)-3-oxo-13-dihydro-2-benzofuran-1-ylidene]acetic acid

SMILES

OC(/C=C(/c1c2cccc1)\OC2=O)=O

InChI

InChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)

InChI Key

XKMGDVJBAWUUDZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.837

Distribution Coefficient, logD

-3.879

Water Solubility, LogSw

-1.75

Polar Surface Area

50.709

Acid Dissociation Constant (pKa)

2.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 0874-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0874-0539?
Check Price and Availability of 0874-0539, 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 0874-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0874-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0874-0539
  • 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 0874-0539 available by request