G381-0234 Screening compound: 5-[3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

G381-0234 Screening compound: 5-[3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid
G381-0234 Screening compound: 5-[3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G381-0234
5-[3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1H-indol-1-yl]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

G381-0234

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

5-[3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

IUPAC name

5-[3-({[(4-ethoxyphenyl)methyl]amino}methyl)-1H-indol-1-yl]thiophene-2-carboxylic acid

SMILES

CCOc1ccc(CNCc2cn(-c3ccc(C(O)=O)s3)c3c2cccc3)cc1

InChI

InChI=1S/C23H22N2O3S/c1-2-28-18-9-7-16(8-10-18)13-24-14-17-15-25(20-6-4-3-5-19(17)20)22-12-11-21(29-22)23(26)27/h3-12,15,24H,2,13-14H2,1H3,(H,26,27)

InChI Key

HDHOLORTEZTRAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.804

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.22

Polar Surface Area

51.097

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

G381-0234 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G381-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G381-0234?
Check Price and Availability of G381-0234, 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 G381-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G381-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G381-0234
  • 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 G381-0234 available by request