S932-7541 Screening compound: 4-[(benzyloxy)methyl]-1-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,3-triazole

S932-7541 Screening compound: 4-[(benzyloxy)methyl]-1-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,3-triazole
S932-7541 Screening compound: 4-[(benzyloxy)methyl]-1-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-7541
4-[(benzyloxy)methyl]-1-{1-[(1-methyl-1H-pyrrol-2-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

S932-7541

Molecular Formula

C20H25N5O (C20 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(CN(CC2)CC2n2nnc(COCc3ccccc3)c2)ccc1

InChI

InChI=1S/C20H25N5O/c1-23-10-5-8-19(23)13-24-11-9-20(14-24)25-12-18(21-22-25)16-26-15-17-6-3-2-4-7-17/h2-8,10,12,20H,9,11,13-16H2,1H3/t20-/m0/s1

InChI Key

VZBIVKQOCYUDNK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31954251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.17

Polar Surface Area

41.832

Acid Dissociation Constant (pKa)

24.31

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S932-7541 in Drug Discovery

Included in Screening Libraries

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 S932-7541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-7541?
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What is the minimum amount of S932-7541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-7541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-7541
  • 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 S932-7541 available by request