S056-0365 Screening compound: N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1-phenylcyclopropane-1-carboxamide

S056-0365 Screening compound: N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1-phenylcyclopropane-1-carboxamide
S056-0365 Screening compound: N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1-phenylcyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0365
N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1-phenylcyclopropane-1-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

S056-0365

Molecular Formula

C21H25N3O2 (C21 H25 N3 O2)

Compound Name

N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1-phenylcyclopropane-1-carboxamide

IUPAC name

N-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}-1-phenylcyclopropane-1-carboxamide

SMILES

COc1ncc(CN(CC2)CC2NC(C2(CC2)c2ccccc2)=O)cc1

InChI

InChI=1S/C21H25N3O2/c1-26-19-8-7-16(13-22-19)14-24-12-9-18(15-24)23-20(25)21(10-11-21)17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)/t18-/m0/s1

InChI Key

BQGHOYPQEBYXNC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29030835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-2.40

Polar Surface Area

45.050

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

S056-0365 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S056-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0365?
Check Price and Availability of S056-0365, 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 S056-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0365
  • 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 S056-0365 available by request