G365-0139 Screening compound: 1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[2-(pyrrolidin-1-yl)ethyl]piperidine

G365-0139 Screening compound: 1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[2-(pyrrolidin-1-yl)ethyl]piperidine
G365-0139 Screening compound: 1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[2-(pyrrolidin-1-yl)ethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound G365-0139
1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[2-(pyrrolidin-1-yl)ethyl]piperidine

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

G365-0139

Molecular Formula

C23H30N4O (C23 H30 N4 O)

Compound Name

1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[2-(pyrrolidin-1-yl)ethyl]piperidine

IUPAC name

1-{1H4H5H-benzo[g]indazole-3-carbonyl}-4-[2-(pyrrolidin-1-yl)ethyl]piperidine

SMILES

O=C(c1n[nH]c-2c1CCc1c2cccc1)N1CCC(CCN2CCCC2)CC1

InChI

InChI=1S/C23H30N4O/c28-23(27-15-10-17(11-16-27)9-14-26-12-3-4-13-26)22-20-8-7-18-5-1-2-6-19(18)21(20)24-25-22/h1-2,5-6,17H,3-4,7-16H2,(H,24,25)

InChI Key

JVOCGVFLZWJFGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

1.613

Water Solubility, LogSw

-4.17

Polar Surface Area

45.006

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

9.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

G365-0139 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)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 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
  • Immune system
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G365-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G365-0139?
Check Price and Availability of G365-0139, 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 G365-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G365-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G365-0139
  • 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 G365-0139 available by request