0591-5329 Screening compound: 4-(methoxycarbonyl)phenyl thiophene-2-carboxylate

0591-5329 Screening compound: 4-(methoxycarbonyl)phenyl thiophene-2-carboxylate
0591-5329 Screening compound: 4-(methoxycarbonyl)phenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0591-5329
4-(methoxycarbonyl)phenyl thiophene-2-carboxylate

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

0591-5329

Molecular Formula

C13H10O4S (C13 H10 O4 S)

Compound Name

4-(methoxycarbonyl)phenyl thiophene-2-carboxylate

IUPAC name

4-(methoxycarbonyl)phenyl thiophene-2-carboxylate

SMILES

COC(c(cc1)ccc1OC(c1cccs1)=O)=O

InChI

InChI=1S/C13H10O4S/c1-16-12(14)9-4-6-10(7-5-9)17-13(15)11-3-2-8-18-11/h2-8H,1H3

InChI Key

ZNLNLGCSARIUMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00813484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.53

Polar Surface Area

42.808

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0591-5329 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0591-5329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0591-5329?
Check Price and Availability of 0591-5329, 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 0591-5329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0591-5329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0591-5329
  • 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 0591-5329 available by request