G117-0645 Screening compound: 1-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

G117-0645 Screening compound: 1-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
G117-0645 Screening compound: 1-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G117-0645
1-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

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

G117-0645

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

1-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

Cn1c(ccc(OC)c2)c2c(CN(CC2)CCC2C(NCc(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C25H31N3O3/c1-27-16-20(23-14-22(31-3)8-9-24(23)27)17-28-12-10-19(11-13-28)25(29)26-15-18-4-6-21(30-2)7-5-18/h4-9,14,16,19H,10-13,15,17H2,1-3H3,(H,26,29)

InChI Key

ZMUWHQFCHXREEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

-1.707

Water Solubility, LogSw

-3.12

Polar Surface Area

46.031

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

12.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G117-0645 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G117-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G117-0645?
Check Price and Availability of G117-0645, 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 G117-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G117-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G117-0645
  • 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 G117-0645 available by request