8014-2191 Screening compound: 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid

8014-2191 Screening compound: 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid
8014-2191 Screening compound: 2-(aminomethyl)-5-phenylfuran-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2191
2-(aminomethyl)-5-phenylfuran-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

8014-2191

Molecular Formula

C12H11NO3 (C12 H11 NO3)

Compound Name

2-(aminomethyl)-5-phenylfuran-3-carboxylic acid

IUPAC name

2-(aminomethyl)-5-phenylfuran-3-carboxylic acid

SMILES

NCc(oc(-c1ccccc1)c1)c1C(O)=O

InChI

InChI=1S/C12H11NO3/c13-7-11-9(12(14)15)6-10(16-11)8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,15)

InChI Key

WSCPCRGXYRNSAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.08

Polar Surface Area

58.110

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8014-2191 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8014-2191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2191?
Check Price and Availability of 8014-2191, 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 8014-2191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2191
  • 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 8014-2191 available by request