C863-0034 Screening compound: 5-({[(2-methoxyphenyl)methyl]amino}methyl)thiophene-2-carboxylic acid

C863-0034 Screening compound: 5-({[(2-methoxyphenyl)methyl]amino}methyl)thiophene-2-carboxylic acid
C863-0034 Screening compound: 5-({[(2-methoxyphenyl)methyl]amino}methyl)thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C863-0034
5-({[(2-methoxyphenyl)methyl]amino}methyl)thiophene-2-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

C863-0034

Molecular Formula

C14H15NO3S (C14 H15 NO3 S)

Compound Name

5-({[(2-methoxyphenyl)methyl]amino}methyl)thiophene-2-carboxylic acid

IUPAC name

5-({[(2-methoxyphenyl)methyl]amino}methyl)thiophene-2-carboxylic acid

SMILES

COc1c(CNCc2ccc(C(O)=O)s2)cccc1

InChI

InChI=1S/C14H15NO3S/c1-18-12-5-3-2-4-10(12)8-15-9-11-6-7-13(19-11)14(16)17/h2-7,15H,8-9H2,1H3,(H,16,17)

InChI Key

YUZDHOMBWNZAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.397

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.58

Polar Surface Area

49.061

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

8.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C863-0034 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C863-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C863-0034?
Check Price and Availability of C863-0034, 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 C863-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C863-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C863-0034
  • 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 C863-0034 available by request