S932-7194 Screening compound: 4-[(benzyloxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

S932-7194 Screening compound: 4-[(benzyloxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole
S932-7194 Screening compound: 4-[(benzyloxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7194
4-[(benzyloxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

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

S932-7194

Molecular Formula

C14H18N4O (C14 H18 N4 O)

Compound Name

4-[(benzyloxy)methyl]-1-(pyrrolidin-3-yl)-1H-1,2,3-triazole

IUPAC name

4-[(benzyloxy)methyl]-1-(pyrrolidin-3-yl)-1H-123-triazole

SMILES

C(c1cn(C2CNCC2)nn1)OCc1ccccc1

InChI

InChI=1S/C14H18N4O/c1-2-4-12(5-3-1)10-19-11-13-9-18(17-16-13)14-6-7-15-8-14/h1-5,9,14-15H,6-8,10-11H2/t14-/m0/s1

InChI Key

QTWMTSGUFSQKHE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32200538

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

258.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.000

Distribution Coefficient, logD

-1.523

Water Solubility, LogSw

-1.26

Polar Surface Area

47.352

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S932-7194 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S932-7194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7194?
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What is the minimum amount of S932-7194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7194
  • 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 S932-7194 available by request