CM1461-5986 Screening compound: N~1~-[(5-acetyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-3-(3-phenyl-4-isoxazolyl)propanamide

CM1461-5986 Screening compound: N~1~-[(5-acetyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-3-(3-phenyl-4-isoxazolyl)propanamide
CM1461-5986 Screening compound: N~1~-[(5-acetyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-3-(3-phenyl-4-isoxazolyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM1461-5986
N~1~-[(5-acetyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-3-(3-phenyl-4-isoxazolyl)propanamide

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

CM1461-5986

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

N~1~-[(5-acetyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-3-(3-phenyl-4-isoxazolyl)propanamide

IUPAC name

n/a

SMILES

CC(N(CC1)Cc2c1n(C)nc2CNC(CCc1conc1-c1ccccc1)=O)=O

InChI

InChI=1S/C22H25N5O3/c1-15(28)27-11-10-20-18(13-27)19(24-26(20)2)12-23-21(29)9-8-17-14-30-25-22(17)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3,(H,23,29)

InChI Key

VRANIMFFGHAZHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.088

Distribution Coefficient, logD

1.088

Water Solubility, LogSw

-1.96

Polar Surface Area

81.001

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

CM1461-5986 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 CM1461-5986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM1461-5986?
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What is the minimum amount of CM1461-5986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM1461-5986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM1461-5986
  • 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 CM1461-5986 available by request