R304-0007 Screening compound: 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

R304-0007 Screening compound: 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
R304-0007 Screening compound: 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R304-0007
2-methyl-2,3-dihydro-1-benzofuran-5-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

R304-0007

Molecular Formula

C10H10O3 (C10 H10 O3)

Compound Name

2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

IUPAC name

2-methyl-23-dihydro-1-benzofuran-5-carboxylic acid

SMILES

CC(C1)Oc(cc2)c1cc2C(O)=O

InChI

InChI=1S/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)/t6-/m1/s1

InChI Key

NXNQXQFRCVUXIN-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD03110444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

0.458

Water Solubility, LogSw

-2.58

Polar Surface Area

36.048

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

R304-0007 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic
Structure:
  • Pool
  • Fragments

References: we are preparing a list of scientific research reports with R304-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R304-0007?
Check Price and Availability of R304-0007, 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 R304-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R304-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R304-0007
  • 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 R304-0007 available by request