G381-0042 Screening compound: 5-{3-[(cyclooctylamino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid

G381-0042 Screening compound: 5-{3-[(cyclooctylamino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid
G381-0042 Screening compound: 5-{3-[(cyclooctylamino)methyl]-1H-indol-1-yl}thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G381-0042
5-{3-[(cyclooctylamino)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

G381-0042

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c1ccc(-n2c(cccc3)c3c(CNC3CCCCCCC3)c2)s1)=O

InChI

InChI=1S/C22H26N2O2S/c25-22(26)20-12-13-21(27-20)24-15-16(18-10-6-7-11-19(18)24)14-23-17-8-4-2-1-3-5-9-17/h6-7,10-13,15,17,23H,1-5,8-9,14H2,(H,25,26)

InChI Key

GXNLMZUGQFJAAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.678

Distribution Coefficient, logD

5.678

Water Solubility, LogSw

-5.66

Polar Surface Area

43.821

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

10.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G381-0042 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G381-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G381-0042?
Check Price and Availability of G381-0042, 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 G381-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G381-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G381-0042
  • 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 G381-0042 available by request