SC25-0797 Screening compound: N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

SC25-0797 Screening compound: N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SC25-0797 Screening compound: N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC25-0797
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-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

SC25-0797

Molecular Formula

C21H25FN6O (C21 H25 FN6 O)

Compound Name

N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

IUPAC name

N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)-N-methyl-5H6H7H8H-[124]triazolo[43-a]pyridine-8-carboxamide

SMILES

CCn1ncc(CN(C)C(C2c3nnc(-c(cc4)ccc4F)n3CCC2)=O)c1C

InChI

InChI=1S/C21H25FN6O/c1-4-28-14(2)16(12-23-28)13-26(3)21(29)18-6-5-11-27-19(24-25-20(18)27)15-7-9-17(22)10-8-15/h7-10,12,18H,4-6,11,13H2,1-3H3/t18-/m1/s1

InChI Key

WMORLULGEUFXHH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32258582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.38

Polar Surface Area

54.024

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SC25-0797 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SC25-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC25-0797?
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What is the minimum amount of SC25-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC25-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC25-0797
  • 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 SC25-0797 available by request