S056-0423 Screening compound: 1-[(furan-2-yl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

S056-0423 Screening compound: 1-[(furan-2-yl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea
S056-0423 Screening compound: 1-[(furan-2-yl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0423
1-[(furan-2-yl)methyl]-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

S056-0423

Molecular Formula

C17H22N4O3 (C17 H22 N4 O3)

Compound Name

1-[(furan-2-yl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

IUPAC name

1-[(furan-2-yl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

SMILES

COc1ncc(CN(CC2)CC2NC(NCc2ccco2)=O)cc1

InChI

InChI=1S/C17H22N4O3/c1-23-16-5-4-13(9-18-16)11-21-7-6-14(12-21)20-17(22)19-10-15-3-2-8-24-15/h2-5,8-9,14H,6-7,10-12H2,1H3,(H2,19,20,22)/t14-/m0/s1

InChI Key

OYBXHXNHRPVMQB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29030844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.339

Distribution Coefficient, logD

-0.881

Water Solubility, LogSw

-1.80

Polar Surface Area

63.081

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

S056-0423 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 S056-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0423?
Check Price and Availability of S056-0423, 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 S056-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0423
  • 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 S056-0423 available by request