G381-0115 Screening compound: 5-(3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid

G381-0115 Screening compound: 5-(3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid
G381-0115 Screening compound: 5-(3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1H-indol-1-yl)thiophene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G381-0115
5-(3-{[(1-benzylpiperidin-4-yl)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

G381-0115

Molecular Formula

C26H27N3O2S (C26 H27 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

OC(c1ccc(-n2c(cccc3)c3c(CNC3CCN(Cc4ccccc4)CC3)c2)s1)=O

InChI

InChI=1S/C26H27N3O2S/c30-26(31)24-10-11-25(32-24)29-18-20(22-8-4-5-9-23(22)29)16-27-21-12-14-28(15-13-21)17-19-6-2-1-3-7-19/h1-11,18,21,27H,12-17H2,(H,30,31)

InChI Key

LHWWZIYJVCNMRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.590

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.07

Polar Surface Area

47.030

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G381-0115 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G381-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G381-0115?
Check Price and Availability of G381-0115, 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 G381-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G381-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G381-0115
  • 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 G381-0115 available by request