S932-7535 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-cyclopentylpropan-1-one

S932-7535 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-cyclopentylpropan-1-one
S932-7535 Screening compound: 1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-cyclopentylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7535
1-(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)-3-cyclopentylpropan-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

S932-7535

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC1CCCC1)N(CC1)CC1n1nnc(COCc2ccccc2)c1

InChI

InChI=1S/C22H30N4O2/c27-22(11-10-18-6-4-5-7-18)25-13-12-21(15-25)26-14-20(23-24-26)17-28-16-19-8-2-1-3-9-19/h1-3,8-9,14,18,21H,4-7,10-13,15-17H2/t21-/m1/s1

InChI Key

QIIPXVSMDOMCOK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD31954447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.10

Polar Surface Area

51.881

Acid Dissociation Constant (pKa)

24.49

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

S932-7535 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 S932-7535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7535?
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What is the minimum amount of S932-7535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7535
  • 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 S932-7535 available by request