CM4297-7452 Screening compound: 3-(4-{1-[3-(trifluoromethyl)benzoyl]azetidin-3-yl}-4H-1,2,4-triazol-3-yl)pyridine

CM4297-7452 Screening compound: 3-(4-{1-[3-(trifluoromethyl)benzoyl]azetidin-3-yl}-4H-1,2,4-triazol-3-yl)pyridine
CM4297-7452 Screening compound: 3-(4-{1-[3-(trifluoromethyl)benzoyl]azetidin-3-yl}-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-7452
3-(4-{1-[3-(trifluoromethyl)benzoyl]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

CM4297-7452

Molecular Formula

C18H14F3N5O (C18 H14 F3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(C(F)(F)F)c1)N(C1)CC1n1c(-c2cnccc2)nnc1

InChI

InChI=1S/C18H14F3N5O/c19-18(20,21)14-5-1-3-12(7-14)17(27)25-9-15(10-25)26-11-23-24-16(26)13-4-2-6-22-8-13/h1-8,11,15H,9-10H2

InChI Key

GAFVBNUPWQVZMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.34

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

1.373

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-1.09

Polar Surface Area

50.787

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

CM4297-7452 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 BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with CM4297-7452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-7452?
Check Price and Availability of CM4297-7452, 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 CM4297-7452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-7452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-7452
  • 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 CM4297-7452 available by request