CM4697-2810 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-azetanyl)-2-(3,5-dimethoxyphenyl)-1-ethanone

CM4697-2810 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-azetanyl)-2-(3,5-dimethoxyphenyl)-1-ethanone
CM4697-2810 Screening compound: 1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-azetanyl)-2-(3,5-dimethoxyphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4697-2810
1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-azetanyl)-2-(3,5-dimethoxyphenyl)-1-ethanone

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

CM4697-2810

Molecular Formula

C20H26N4O3 (C20 H26 N4 O3)

Compound Name

1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-azetanyl)-2-(3,5-dimethoxyphenyl)-1-ethanone

IUPAC name

1-(3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}azetidin-1-yl)-2-(35-dimethoxyphenyl)ethan-1-one

SMILES

COc1cc(CC(N2CC(Cc3nncn3CC3CC3)C2)=O)cc(OC)c1

InChI

InChI=1S/C20H26N4O3/c1-26-17-5-15(6-18(9-17)27-2)8-20(25)23-11-16(12-23)7-19-22-21-13-24(19)10-14-3-4-14/h5-6,9,13-14,16H,3-4,7-8,10-12H2,1-2H3

InChI Key

FRKYWHZHCJTEBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.068

Distribution Coefficient, logD

2.068

Water Solubility, LogSw

-2.22

Polar Surface Area

57.229

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

CM4697-2810 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4697-2810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4697-2810?
Check Price and Availability of CM4697-2810, 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 CM4697-2810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4697-2810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4697-2810
  • 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 CM4697-2810 available by request