Y040-6191 Screening compound: 6-(benzyloxy)-3-methyl-1-benzofuran-2-carboxylic acid

Y040-6191 Screening compound: 6-(benzyloxy)-3-methyl-1-benzofuran-2-carboxylic acid
Y040-6191 Screening compound: 6-(benzyloxy)-3-methyl-1-benzofuran-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6191
6-(benzyloxy)-3-methyl-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

Y040-6191

Molecular Formula

C17H14O4 (C17 H14 O4)

Compound Name

6-(benzyloxy)-3-methyl-1-benzofuran-2-carboxylic acid

IUPAC name

6-(benzyloxy)-3-methyl-1-benzofuran-2-carboxylic acid

SMILES

Cc1c(C(O)=O)oc2c1ccc(OCc1ccccc1)c2

InChI

InChI=1S/C17H14O4/c1-11-14-8-7-13(9-15(14)21-16(11)17(18)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)

InChI Key

UAGJEOMFGCRDQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27634378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

-0.557

Water Solubility, LogSw

-4.08

Polar Surface Area

44.400

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

Y040-6191 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GABA Library (7115 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-6191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6191?
Check Price and Availability of Y040-6191, 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 Y040-6191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6191
  • 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 Y040-6191 available by request