G390-0141 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide

G390-0141 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide
G390-0141 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G390-0141
N-[2-(1H-indol-3-yl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide

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

G390-0141

Molecular Formula

C26H27N5O2S (C26 H27 N5 O2 S)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-4-{3-methyl-1-phenyl-1H,4H,5H,6H-pyrazolo[3,4-b][1,4]thiazin-4-yl}-4-oxobutanamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-4-{3-methyl-1-phenyl-1H4H5H6H-pyrazolo[34-b][14]thiazin-4-yl}-4-oxobutanamide

SMILES

Cc(c1c2SCCN1C(CCC(NCCc1c[nH]c3c1cccc3)=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C26H27N5O2S/c1-18-25-26(31(29-18)20-7-3-2-4-8-20)34-16-15-30(25)24(33)12-11-23(32)27-14-13-19-17-28-22-10-6-5-9-21(19)22/h2-10,17,28H,11-16H2,1H3,(H,27,32)

InChI Key

ITHZJRKDZIULLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-3.07

Polar Surface Area

63.157

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G390-0141 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G390-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G390-0141?
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What is the minimum amount of G390-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G390-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G390-0141
  • 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 G390-0141 available by request