S064-0179 Screening compound: 1-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]urea

S064-0179 Screening compound: 1-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]urea
S064-0179 Screening compound: 1-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0179
1-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)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

S064-0179

Molecular Formula

C18H23N5O3 (C18 H23 N5 O3)

Compound Name

1-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]urea

IUPAC name

1-[(3-methoxyphenyl)methyl]-3-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]urea

SMILES

COc1cccc(CNC(NC(CC2)CN2c2nccnc2OC)=O)c1

InChI

InChI=1S/C18H23N5O3/c1-25-15-5-3-4-13(10-15)11-21-18(24)22-14-6-9-23(12-14)16-17(26-2)20-8-7-19-16/h3-5,7-8,10,14H,6,9,11-12H2,1-2H3,(H2,21,22,24)/t14-/m0/s1

InChI Key

ZNJJSLGVUWDLMG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29031016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.41

Polar Surface Area

72.344

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

S064-0179 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S064-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0179?
Check Price and Availability of S064-0179, 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 S064-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0179
  • 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 S064-0179 available by request