CM4222-0916 Screening compound: 2,5-dichlorophenyl [3-(1-isopropyltetrahydro-1H-pyrrol-3-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl] sulfone

CM4222-0916 Screening compound: 2,5-dichlorophenyl [3-(1-isopropyltetrahydro-1H-pyrrol-3-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl] sulfone
CM4222-0916 Screening compound: 2,5-dichlorophenyl [3-(1-isopropyltetrahydro-1H-pyrrol-3-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4222-0916
2,5-dichlorophenyl [3-(1-isopropyltetrahydro-1H-pyrrol-3-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl] sulfone

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

CM4222-0916

Molecular Formula

C18H23Cl2N5O2S (C18 H23 Cl2 N5 O2 S)

Compound Name

2,5-dichlorophenyl [3-(1-isopropyltetrahydro-1H-pyrrol-3-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl] sulfone

IUPAC name

3-[7-(25-dichlorobenzenesulfonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]-1-(propan-2-yl)pyrrolidine

SMILES

CC(C)N(CC1)CC1c1nnc(C2)n1CCN2S(c(cc(cc1)Cl)c1Cl)(=O)=O

InChI

InChI=1S/C18H23Cl2N5O2S/c1-12(2)23-6-5-13(10-23)18-22-21-17-11-24(7-8-25(17)18)28(26,27)16-9-14(19)3-4-15(16)20/h3-4,9,12-13H,5-8,10-11H2,1-2H3/t13-/m0/s1

InChI Key

RRGVMSQBSBSESB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30458728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

-1.334

Water Solubility, LogSw

-3.09

Polar Surface Area

60.739

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

11.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

CM4222-0916 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 CM4222-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4222-0916?
Check Price and Availability of CM4222-0916, 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 CM4222-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4222-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4222-0916
  • 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 CM4222-0916 available by request