S062-1043 Screening compound: 1-METHYL-3-{3-PHENYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBONYL}-1H-INDAZOLE

S062-1043 Screening compound: 1-METHYL-3-{3-PHENYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBONYL}-1H-INDAZOLE
S062-1043 Screening compound: 1-METHYL-3-{3-PHENYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBONYL}-1H-INDAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound S062-1043
1-METHYL-3-{3-PHENYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBONYL}-1H-INDAZOLE

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

S062-1043

Molecular Formula

C21H19N5O (C21 H19 N5 O)

Compound Name

1-METHYL-3-{3-PHENYL-1H,4H,5H,6H,7H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBONYL}-1H-INDAZOLE

IUPAC name

1-methyl-3-{3-phenyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl}-1H-indazole

SMILES

Cn1nc(C(N(CC2)Cc3c2[nH]nc3-c2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C21H19N5O/c1-25-18-10-6-5-9-15(18)20(24-25)21(27)26-12-11-17-16(13-26)19(23-22-17)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,22,23)

InChI Key

LKJJULXEWOHPNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27617390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.74

Polar Surface Area

55.846

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S062-1043 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S062-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S062-1043?
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What is the minimum amount of S062-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S062-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S062-1043
  • 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 S062-1043 available by request