G381-0088 Screening compound: 5-(3-{[(3-methylbutyl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid

G381-0088 Screening compound: 5-(3-{[(3-methylbutyl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid
G381-0088 Screening compound: 5-(3-{[(3-methylbutyl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G381-0088
5-(3-{[(3-methylbutyl)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

G381-0088

Molecular Formula

C19H22N2O2S (C19 H22 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNCc1cn(-c2ccc(C(O)=O)s2)c2c1cccc2

InChI

InChI=1S/C19H22N2O2S/c1-13(2)9-10-20-11-14-12-21(16-6-4-3-5-15(14)16)18-8-7-17(24-18)19(22)23/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,23)

InChI Key

VGIKQSNNJSRQQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.236

Distribution Coefficient, logD

4.236

Water Solubility, LogSw

-3.85

Polar Surface Area

44.086

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

10.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G381-0088 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G381-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G381-0088?
Check Price and Availability of G381-0088, 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 G381-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G381-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G381-0088
  • 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 G381-0088 available by request