CM1461-0225 Screening compound: 1-{[1-METHYL-5-(2,4,6-TRIMETHYLBENZENESULFONYL)-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]METHYL}PYRROLIDINE

CM1461-0225 Screening compound: 1-{[1-METHYL-5-(2,4,6-TRIMETHYLBENZENESULFONYL)-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]METHYL}PYRROLIDINE
CM1461-0225 Screening compound: 1-{[1-METHYL-5-(2,4,6-TRIMETHYLBENZENESULFONYL)-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]METHYL}PYRROLIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM1461-0225
1-{[1-METHYL-5-(2,4,6-TRIMETHYLBENZENESULFONYL)-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]METHYL}PYRROLIDINE

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

CM1461-0225

Molecular Formula

C21H30N4O2S (C21 H30 N4 O2 S)

Compound Name

1-{[1-METHYL-5-(2,4,6-TRIMETHYLBENZENESULFONYL)-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDIN-3-YL]METHYL}PYRROLIDINE

IUPAC name

1-{[1-methyl-5-(246-trimethylbenzenesulfonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methyl}pyrrolidine

SMILES

Cc(cc1C)cc(C)c1S(N(CC1)Cc2c1n(C)nc2CN1CCCC1)(=O)=O

InChI

InChI=1S/C21H30N4O2S/c1-15-11-16(2)21(17(3)12-15)28(26,27)25-10-7-20-18(13-25)19(22-23(20)4)14-24-8-5-6-9-24/h11-12H,5-10,13-14H2,1-4H3

InChI Key

JTEBCKQMJOQXHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

-2.712

Water Solubility, LogSw

-3.14

Polar Surface Area

51.223

Acid Dissociation Constant (pKa)

22.23

Base Dissociation Constant (pKb)

13.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

CM1461-0225 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with CM1461-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM1461-0225?
Check Price and Availability of CM1461-0225, 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 CM1461-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM1461-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM1461-0225
  • 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 CM1461-0225 available by request