CM4297-7621 Screening compound: 3-{4-[1-(3,5-dimethoxybenzoyl)azetidin-3-yl]-4H-1,2,4-triazol-3-yl}pyridine

CM4297-7621 Screening compound: 3-{4-[1-(3,5-dimethoxybenzoyl)azetidin-3-yl]-4H-1,2,4-triazol-3-yl}pyridine
CM4297-7621 Screening compound: 3-{4-[1-(3,5-dimethoxybenzoyl)azetidin-3-yl]-4H-1,2,4-triazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-7621
3-{4-[1-(3,5-dimethoxybenzoyl)azetidin-3-yl]-4H-1,2,4-triazol-3-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

CM4297-7621

Molecular Formula

C19H19N5O3 (C19 H19 N5 O3)

Compound Name

3-{4-[1-(3,5-dimethoxybenzoyl)azetidin-3-yl]-4H-1,2,4-triazol-3-yl}pyridine

IUPAC name

3-{4-[1-(35-dimethoxybenzoyl)azetidin-3-yl]-4H-124-triazol-3-yl}pyridine

SMILES

COc1cc(C(N(C2)CC2n2c(-c3cnccc3)nnc2)=O)cc(OC)c1

InChI

InChI=1S/C19H19N5O3/c1-26-16-6-14(7-17(8-16)27-2)19(25)23-10-15(11-23)24-12-21-22-18(24)13-4-3-5-20-9-13/h3-9,12,15H,10-11H2,1-2H3

InChI Key

QKUJAKWDHPPNKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.853

Distribution Coefficient, logD

0.845

Water Solubility, LogSw

-0.83

Polar Surface Area

65.875

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

CM4297-7621 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM4297-7621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-7621?
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What is the minimum amount of CM4297-7621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-7621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-7621
  • 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 CM4297-7621 available by request