C863-0056 Screening compound: 5-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)thiophene-2-carboxylic acid

C863-0056 Screening compound: 5-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)thiophene-2-carboxylic acid
C863-0056 Screening compound: 5-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C863-0056
5-({[2-(3,4-diethoxyphenyl)ethyl]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

C863-0056

Molecular Formula

C18H23NO4S (C18 H23 NO4 S)

Compound Name

5-({[2-(3,4-diethoxyphenyl)ethyl]amino}methyl)thiophene-2-carboxylic acid

IUPAC name

5-({[2-(34-diethoxyphenyl)ethyl]amino}methyl)thiophene-2-carboxylic acid

SMILES

CCOc(ccc(CCNCc1ccc(C(O)=O)s1)c1)c1OCC

InChI

InChI=1S/C18H23NO4S/c1-3-22-15-7-5-13(11-16(15)23-4-2)9-10-19-12-14-6-8-17(24-14)18(20)21/h5-8,11,19H,3-4,9-10,12H2,1-2H3,(H,20,21)

InChI Key

ZLQSKTPVZGKUFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14802023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.64

Polar Surface Area

55.693

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C863-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C863-0056?
Check Price and Availability of C863-0056, 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 C863-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C863-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C863-0056
  • 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 C863-0056 available by request