G381-0028 Screening compound: 5-{3-[(benzylamino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid

G381-0028 Screening compound: 5-{3-[(benzylamino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid
G381-0028 Screening compound: 5-{3-[(benzylamino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G381-0028
5-{3-[(benzylamino)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

G381-0028

Molecular Formula

C21H18N2O2S (C21 H18 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c1ccc(-n2c(cccc3)c3c(CNCc3ccccc3)c2)s1)=O

InChI

InChI=1S/C21H18N2O2S/c24-21(25)19-10-11-20(26-19)23-14-16(17-8-4-5-9-18(17)23)13-22-12-15-6-2-1-3-7-15/h1-11,14,22H,12-13H2,(H,24,25)

InChI Key

KWTFRNMUAZSKBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.17

Polar Surface Area

43.973

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

G381-0028 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G381-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G381-0028?
Check Price and Availability of G381-0028, 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 G381-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G381-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G381-0028
  • 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 G381-0028 available by request