S932-3784 Screening compound: cyclopentyl(3-{4-[(4-pyridyloxy)methyl]-1H-1,2,3-triazol-1-yl}-1-pyrrolidinyl)methanone

S932-3784 Screening compound: cyclopentyl(3-{4-[(4-pyridyloxy)methyl]-1H-1,2,3-triazol-1-yl}-1-pyrrolidinyl)methanone
S932-3784 Screening compound: cyclopentyl(3-{4-[(4-pyridyloxy)methyl]-1H-1,2,3-triazol-1-yl}-1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S932-3784
cyclopentyl(3-{4-[(4-pyridyloxy)methyl]-1H-1,2,3-triazol-1-yl}-1-pyrrolidinyl)methanone

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

S932-3784

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

cyclopentyl(3-{4-[(4-pyridyloxy)methyl]-1H-1,2,3-triazol-1-yl}-1-pyrrolidinyl)methanone

IUPAC name

4-{[1-(1-cyclopentanecarbonylpyrrolidin-3-yl)-1H-123-triazol-4-yl]methoxy}pyridine

SMILES

O=C(C1CCCC1)N(CC1)CC1n1nnc(COc2ccncc2)c1

InChI

InChI=1S/C18H23N5O2/c24-18(14-3-1-2-4-14)22-10-7-16(12-22)23-11-15(20-21-23)13-25-17-5-8-19-9-6-17/h5-6,8-9,11,14,16H,1-4,7,10,12-13H2/t16-/m1/s1

InChI Key

ARJRGEDLDDYQBZ-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.182

Distribution Coefficient, logD

1.180

Water Solubility, LogSw

-1.10

Polar Surface Area

60.901

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

S932-3784 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 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

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S932-3784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S932-3784?
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What is the minimum amount of S932-3784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S932-3784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S932-3784
  • 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 S932-3784 available by request