CM1461-7590 Screening compound: N~1~-{[1-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-1-phenyl-1-cyclopropanecarboxamide

CM1461-7590 Screening compound: N~1~-{[1-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-1-phenyl-1-cyclopropanecarboxamide
CM1461-7590 Screening compound: N~1~-{[1-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-1-phenyl-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM1461-7590
N~1~-{[1-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-1-phenyl-1-cyclopropanecarboxamide

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

CM1461-7590

Molecular Formula

C19H24N4O3S (C19 H24 N4 O3 S)

Compound Name

N~1~-{[1-methyl-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}-1-phenyl-1-cyclopropanecarboxamide

IUPAC name

N-({5-methanesulfonyl-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)-1-phenylcyclopropane-1-carboxamide

SMILES

Cn1nc(CNC(C2(CC2)c2ccccc2)=O)c(C2)c1CCN2S(C)(=O)=O

InChI

InChI=1S/C19H24N4O3S/c1-22-17-8-11-23(27(2,25)26)13-15(17)16(21-22)12-20-18(24)19(9-10-19)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,24)

InChI Key

KIYFIJMFYGWGMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.948

Distribution Coefficient, logD

0.948

Water Solubility, LogSw

-2.24

Polar Surface Area

71.553

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

CM1461-7590 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)

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 CM1461-7590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM1461-7590?
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What is the minimum amount of CM1461-7590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM1461-7590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM1461-7590
  • 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 CM1461-7590 available by request