S932-7508 Screening compound: 3-[(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methyl]-1H-indole

S932-7508 Screening compound: 3-[(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methyl]-1H-indole
S932-7508 Screening compound: 3-[(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methyl]-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7508
3-[(3-{4-[(benzyloxy)methyl]-1H-1,2,3-triazol-1-yl}pyrrolidin-1-yl)methyl]-1H-indole

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

S932-7508

Molecular Formula

C23H25N5O (C23 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

C(c1c[nH]c2c1cccc2)N(CC1)CC1n1nnc(COCc2ccccc2)c1

InChI

InChI=1S/C23H25N5O/c1-2-6-18(7-3-1)16-29-17-20-14-28(26-25-20)21-10-11-27(15-21)13-19-12-24-23-9-5-4-8-22(19)23/h1-9,12,14,21,24H,10-11,13,15-17H2/t21-/m0/s1

InChI Key

QTQDMGSMIXRBBF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD31954346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

1.020

Water Solubility, LogSw

-2.85

Polar Surface Area

48.805

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

9.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

S932-7508 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)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S932-7508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7508?
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What is the minimum amount of S932-7508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7508
  • 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 S932-7508 available by request