S062-1261 Screening compound: [3-(4-FLUOROPHENYL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL](1-METHYL-1H-PYRAZOL-5-YL)METHANONE

S062-1261 Screening compound: [3-(4-FLUOROPHENYL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL](1-METHYL-1H-PYRAZOL-5-YL)METHANONE
S062-1261 Screening compound: [3-(4-FLUOROPHENYL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL](1-METHYL-1H-PYRAZOL-5-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S062-1261
[3-(4-FLUOROPHENYL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL](1-METHYL-1H-PYRAZOL-5-YL)METHANONE

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

S062-1261

Molecular Formula

C17H16FN5O (C17 H16 FN5 O)

Compound Name

[3-(4-FLUOROPHENYL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL](1-METHYL-1H-PYRAZOL-5-YL)METHANONE

IUPAC name

n/a

SMILES

Cn1nccc1C(N(CC1)Cc2c1[nH]nc2-c(cc1)ccc1F)=O

InChI

InChI=1S/C17H16FN5O/c1-22-15(6-8-19-22)17(24)23-9-7-14-13(10-23)16(21-20-14)11-2-4-12(18)5-3-11/h2-6,8H,7,9-10H2,1H3,(H,20,21)

InChI Key

WHRLTTBQIBCOKH-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.35

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

1.342

Distribution Coefficient, logD

1.342

Water Solubility, LogSw

-2.12

Polar Surface Area

54.960

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

S062-1261 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S062-1261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S062-1261?
Check Price and Availability of S062-1261, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S062-1261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S062-1261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S062-1261
  • 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 S062-1261 available by request