CM1461-4468 Screening compound: N-[(1,5-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-YL)METHYL]-5-(4-FLUOROPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

CM1461-4468 Screening compound: N-[(1,5-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-YL)METHYL]-5-(4-FLUOROPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
CM1461-4468 Screening compound: N-[(1,5-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-YL)METHYL]-5-(4-FLUOROPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM1461-4468
N-[(1,5-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-YL)METHYL]-5-(4-FLUOROPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

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

CM1461-4468

Molecular Formula

C22H26FN5O (C22 H26 FN5 O)

Compound Name

N-[(1,5-DIMETHYL-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-YL)METHYL]-5-(4-FLUOROPHENYL)-1,2-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE

IUPAC name

N-({15-dimethyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)-5-(4-fluorophenyl)-12-dimethyl-1H-pyrrole-3-carboxamide

SMILES

Cc(n(C)c(-c(cc1)ccc1F)c1)c1C(NCc1nn(C)c2c1CN(C)CC2)=O

InChI

InChI=1S/C22H26FN5O/c1-14-17(11-21(27(14)3)15-5-7-16(23)8-6-15)22(29)24-12-19-18-13-26(2)10-9-20(18)28(4)25-19/h5-8,11H,9-10,12-13H2,1-4H3,(H,24,29)

InChI Key

PAUMZBNQIHOOPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

-3.917

Water Solubility, LogSw

-3.05

Polar Surface Area

45.256

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

13.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

CM1461-4468 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 CM1461-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM1461-4468?
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What is the minimum amount of CM1461-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM1461-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM1461-4468
  • 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 CM1461-4468 available by request