8018-7096 Screening compound: 5-methoxy-1-benzofuran-2-carboxylic acid

8018-7096 Screening compound: 5-methoxy-1-benzofuran-2-carboxylic acid
8018-7096 Screening compound: 5-methoxy-1-benzofuran-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7096
5-methoxy-1-benzofuran-2-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

8018-7096

Molecular Formula

C10H8O4 (C10 H8 O4)

Compound Name

5-methoxy-1-benzofuran-2-carboxylic acid

IUPAC name

5-methoxy-1-benzofuran-2-carboxylic acid

SMILES

COc(cc1)cc2c1oc(C(O)=O)c2

InChI

InChI=1S/C10H8O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)

InChI Key

XZELWEMGWISCTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00079771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

-2.428

Water Solubility, LogSw

-2.41

Polar Surface Area

44.483

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-7096 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-7096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7096?
Check Price and Availability of 8018-7096, 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 8018-7096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7096
  • 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 8018-7096 available by request