S932-7574 Screening compound: 4-[(benzyloxy)methyl]-1-(1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl)-1H-1,2,3-triazole

S932-7574 Screening compound: 4-[(benzyloxy)methyl]-1-(1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl)-1H-1,2,3-triazole
S932-7574 Screening compound: 4-[(benzyloxy)methyl]-1-(1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7574
4-[(benzyloxy)methyl]-1-(1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}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

S932-7574

Molecular Formula

C25H28N6O2 (C25 H28 N6 O2)

Compound Name

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

IUPAC name

4-[(benzyloxy)methyl]-1-(1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}pyrrolidin-3-yl)-1H-123-triazole

SMILES

COc(cccc1)c1-c1n[nH]cc1CN(CC1)CC1n1nnc(COCc2ccccc2)c1

InChI

InChI=1S/C25H28N6O2/c1-32-24-10-6-5-9-23(24)25-20(13-26-28-25)14-30-12-11-22(16-30)31-15-21(27-29-31)18-33-17-19-7-3-2-4-8-19/h2-10,13,15,22H,11-12,14,16-18H2,1H3,(H,26,28)/t22-/m0/s1

InChI Key

CTHGSUQIDPKFGP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31957099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-3.27

Polar Surface Area

70.755

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

S932-7574 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 Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S932-7574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7574?
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What is the minimum amount of S932-7574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7574
  • 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 S932-7574 available by request