S056-0424 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

S056-0424 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea
S056-0424 Screening compound: 1-[(4-fluorophenyl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0424
1-[(4-fluorophenyl)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

S056-0424

Molecular Formula

C19H23FN4O2 (C19 H23 FN4 O2)

Compound Name

1-[(4-fluorophenyl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

IUPAC name

1-[(4-fluorophenyl)methyl]-3-{1-[(6-methoxypyridin-3-yl)methyl]pyrrolidin-3-yl}urea

SMILES

COc1ncc(CN(CC2)CC2NC(NCc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C19H23FN4O2/c1-26-18-7-4-15(11-21-18)12-24-9-8-17(13-24)23-19(25)22-10-14-2-5-16(20)6-3-14/h2-7,11,17H,8-10,12-13H2,1H3,(H2,22,23,25)/t17-/m0/s1

InChI Key

XAEVPMRGEMFBIV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29031172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.617

Distribution Coefficient, logD

-0.602

Water Solubility, LogSw

-2.04

Polar Surface Area

55.333

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

S056-0424 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S056-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0424?
Check Price and Availability of S056-0424, 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 S056-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0424
  • 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 S056-0424 available by request