S742-0121 Screening compound: 4-{1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-3-methoxyazetidin-2-yl}pyridine

S742-0121 Screening compound: 4-{1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-3-methoxyazetidin-2-yl}pyridine
S742-0121 Screening compound: 4-{1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-3-methoxyazetidin-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S742-0121
4-{1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-3-methoxyazetidin-2-yl}pyridine

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

S742-0121

Molecular Formula

C20H27N5O2 (C20 H27 N5 O2)

Compound Name

4-{1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-3-methoxyazetidin-2-yl}pyridine

IUPAC name

4-[(2S3S)-1-[1-(15-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-3-methoxyazetidin-2-yl]pyridine

SMILES

Cc1cc(C(N(CC2)CCC2N(C[C@H]2OC)[C@@H]2c2ccncc2)=O)nn1C

InChI

InChI=1S/C20H27N5O2/c1-14-12-17(22-23(14)2)20(26)24-10-6-16(7-11-24)25-13-18(27-3)19(25)15-4-8-21-9-5-15/h4-5,8-9,12,16,18-19H,6-7,10-11,13H2,1-3H3/t18-,19+/m0/s1

InChI Key

YFVLNEVNUWZQDT-RBUKOAKNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.702

Water Solubility, LogSw

-1.04

Polar Surface Area

50.406

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

S742-0121 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 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

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 S742-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S742-0121?
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What is the minimum amount of S742-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S742-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S742-0121
  • 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 S742-0121 available by request