8009-3043 Screening compound: 4-({[(furan-2-yl)methyl]sulfanyl}methyl)benzoic acid

8009-3043 Screening compound: 4-({[(furan-2-yl)methyl]sulfanyl}methyl)benzoic acid
8009-3043 Screening compound: 4-({[(furan-2-yl)methyl]sulfanyl}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3043
4-({[(furan-2-yl)methyl]sulfanyl}methyl)benzoic 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

8009-3043

Molecular Formula

C13H12O3S (C13 H12 O3 S)

Compound Name

4-({[(furan-2-yl)methyl]sulfanyl}methyl)benzoic acid

IUPAC name

4-({[(furan-2-yl)methyl]sulfanyl}methyl)benzoic acid

SMILES

OC(c1ccc(CSCc2ccco2)cc1)=O

InChI

InChI=1S/C13H12O3S/c14-13(15)11-5-3-10(4-6-11)8-17-9-12-2-1-7-16-12/h1-7H,8-9H2,(H,14,15)

InChI Key

YKWFODPJEKPJPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01418359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.469

Distribution Coefficient, logD

0.498

Water Solubility, LogSw

-3.45

Polar Surface Area

36.124

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8009-3043 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

GABA Library (7115 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-3043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3043?
Check Price and Availability of 8009-3043, 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 8009-3043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3043
  • 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 8009-3043 available by request