CM4298-0433 Screening compound: 2-isopropoxy-5-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}methyl)phenyl methyl ether

CM4298-0433 Screening compound: 2-isopropoxy-5-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}methyl)phenyl methyl ether
CM4298-0433 Screening compound: 2-isopropoxy-5-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}methyl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4298-0433
2-isopropoxy-5-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}methyl)phenyl methyl ether

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

CM4298-0433

Molecular Formula

C21H26N4O2S (C21 H26 N4 O2 S)

Compound Name

2-isopropoxy-5-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}methyl)phenyl methyl ether

IUPAC name

n/a

SMILES

CC(C)Oc(ccc(CN(C1)CC1c1nc(-c2cscc2)nn1C)c1)c1OC

InChI

InChI=1S/C21H26N4O2S/c1-14(2)27-18-6-5-15(9-19(18)26-4)10-25-11-17(12-25)21-22-20(23-24(21)3)16-7-8-28-13-16/h5-9,13-14,17H,10-12H2,1-4H3

InChI Key

AXGZLTAYRWOIJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

0.111

Water Solubility, LogSw

-3.22

Polar Surface Area

43.508

Acid Dissociation Constant (pKa)

25.45

Base Dissociation Constant (pKb)

10.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

CM4298-0433 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 CM4298-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4298-0433?
Check Price and Availability of CM4298-0433, 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 CM4298-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4298-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4298-0433
  • 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 CM4298-0433 available by request