3570-0388 Screening compound: 5-[(4-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

3570-0388 Screening compound: 5-[(4-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
3570-0388 Screening compound: 5-[(4-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0388
5-[(4-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-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

3570-0388

Molecular Formula

C17H13ClO4 (C17 H13 ClO4)

Compound Name

5-[(4-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

IUPAC name

5-[(4-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

SMILES

Cc1c(C(O)=O)c(cc(cc2)OCc(cc3)ccc3Cl)c2o1

InChI

InChI=1S/C17H13ClO4/c1-10-16(17(19)20)14-8-13(6-7-15(14)22-10)21-9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,20)

InChI Key

PPCQEMDZCBLXAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

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

4.366

Distribution Coefficient, logD

2.957

Water Solubility, LogSw

-4.55

Polar Surface Area

43.822

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3570-0388 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3570-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0388?
Check Price and Availability of 3570-0388, 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 3570-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0388
  • 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 3570-0388 available by request