S056-0419 Screening compound: 1-cyclopentyl-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

S056-0419 Screening compound: 1-cyclopentyl-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea
S056-0419 Screening compound: 1-cyclopentyl-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0419
1-cyclopentyl-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

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

S056-0419

Molecular Formula

C17H26N4O2 (C17 H26 N4 O2)

Compound Name

1-cyclopentyl-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

IUPAC name

1-cyclopentyl-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

SMILES

COc1ncc(CN(CC2)CC2NC(NC2CCCC2)=O)cc1

InChI

InChI=1S/C17H26N4O2/c1-23-16-7-6-13(10-18-16)11-21-9-8-15(12-21)20-17(22)19-14-4-2-3-5-14/h6-7,10,14-15H,2-5,8-9,11-12H2,1H3,(H2,19,20,22)/t15-/m0/s1

InChI Key

WXRFPYNEJNPHPV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29030843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.736

Distribution Coefficient, logD

-0.483

Water Solubility, LogSw

-2.14

Polar Surface Area

55.424

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

S056-0419 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)

Soluble Diversity Library (15920 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 S056-0419 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0419?
Check Price and Availability of S056-0419, 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 S056-0419 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0419
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0419
  • 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 S056-0419 available by request