3570-0520 Screening compound: 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

3570-0520 Screening compound: 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
3570-0520 Screening compound: 5-[(4-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3570-0520
5-[(4-bromophenyl)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

3570-0520

Molecular Formula

C17H13BrO4 (C17 H13 BrO4)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(O)=O)c(cc(cc2)OCc(cc3)ccc3Br)c2o1

InChI

InChI=1S/C17H13BrO4/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

NXYCLZDDICDAQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.19

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

4.605

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-4.67

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

3570-0520 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • 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 3570-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3570-0520?
Check Price and Availability of 3570-0520, 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 3570-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3570-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3570-0520
  • 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 3570-0520 available by request