S941-0206 Screening compound: {3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]-1-azetanyl}(6-methyl-3-pyridyl)methanone

S941-0206 Screening compound: {3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]-1-azetanyl}(6-methyl-3-pyridyl)methanone
S941-0206 Screening compound: {3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]-1-azetanyl}(6-methyl-3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S941-0206
{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]-1-azetanyl}(6-methyl-3-pyridyl)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

S941-0206

Molecular Formula

C18H23N5O (C18 H23 N5 O)

Compound Name

{3-[(4-cyclopentyl-4H-1,2,4-triazol-3-yl)methyl]-1-azetanyl}(6-methyl-3-pyridyl)methanone

IUPAC name

5-{3-[(4-cyclopentyl-4H-124-triazol-3-yl)methyl]azetidine-1-carbonyl}-2-methylpyridine

SMILES

Cc(cc1)ncc1C(N1CC(Cc2nncn2C2CCCC2)C1)=O

InChI

InChI=1S/C18H23N5O/c1-13-6-7-15(9-19-13)18(24)22-10-14(11-22)8-17-21-20-12-23(17)16-4-2-3-5-16/h6-7,9,12,14,16H,2-5,8,10-11H2,1H3

InChI Key

KQRVLWHUQZQFPS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.468

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-1.60

Polar Surface Area

51.748

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S941-0206 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S941-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S941-0206?
Check Price and Availability of S941-0206, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S941-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S941-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S941-0206
  • 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 S941-0206 available by request