S056-0580 Screening compound: N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}cyclobutanecarboxamide

S056-0580 Screening compound: N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}cyclobutanecarboxamide
S056-0580 Screening compound: N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0580
N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}cyclobutanecarboxamide

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

S056-0580

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}cyclobutanecarboxamide

IUPAC name

N-{1-[(6-propoxypyridin-3-yl)methyl]pyrrolidin-3-yl}cyclobutanecarboxamide

SMILES

CCCOc1ncc(CN(CC2)CC2NC(C2CCC2)=O)cc1

InChI

InChI=1S/C18H27N3O2/c1-2-10-23-17-7-6-14(11-19-17)12-21-9-8-16(13-21)20-18(22)15-4-3-5-15/h6-7,11,15-16H,2-5,8-10,12-13H2,1H3,(H,20,22)/t16-/m0/s1

InChI Key

YUCODPXUFSAWCS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29030869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.670

Distribution Coefficient, logD

0.930

Water Solubility, LogSw

-2.07

Polar Surface Area

45.196

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

8.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S056-0580 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with S056-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0580?
Check Price and Availability of S056-0580, 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 S056-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0580
  • 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 S056-0580 available by request