S932-2529 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole

S932-2529 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole
S932-2529 Screening compound: 4-[(cyclopropylmethoxy)methyl]-1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-2529
4-[(cyclopropylmethoxy)methyl]-1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]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

S932-2529

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

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

IUPAC name

4-[(cyclopropylmethoxy)methyl]-1-{1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl}-1H-123-triazole

SMILES

COc1ccc(C2(CC2)C(N(CC2)CC2n2nnc(COCC3CC3)c2)=O)cc1

InChI

InChI=1S/C22H28N4O3/c1-28-20-6-4-17(5-7-20)22(9-10-22)21(27)25-11-8-19(13-25)26-12-18(23-24-26)15-29-14-16-2-3-16/h4-7,12,16,19H,2-3,8-11,13-15H2,1H3

InChI Key

TZQSTPLAINTXHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

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

2.328

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-2.31

Polar Surface Area

60.169

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S932-2529 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
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 S932-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-2529?
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What is the minimum amount of S932-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-2529
  • 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 S932-2529 available by request