S932-7546 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

S932-7546 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-phenoxyethan-1-one
S932-7546 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7546
1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

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

S932-7546

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

IUPAC name

1-(3-{4-[(benzyloxy)methyl]-1H-123-triazol-1-yl}pyrrolidin-1-yl)-2-phenoxyethan-1-one

SMILES

O=C(COc1ccccc1)N(CC1)CC1n1nnc(COCc2ccccc2)c1

InChI

InChI=1S/C22H24N4O3/c27-22(17-29-21-9-5-2-6-10-21)25-12-11-20(14-25)26-13-19(23-24-26)16-28-15-18-7-3-1-4-8-18/h1-10,13,20H,11-12,14-17H2/t20-/m1/s1

InChI Key

YMTWZBMUKDOYTR-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD31999472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.04

Polar Surface Area

58.822

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

S932-7546 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S932-7546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7546?
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What is the minimum amount of S932-7546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7546
  • 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 S932-7546 available by request