L886-0311 Screening compound: 3-[5-(4-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole

L886-0311 Screening compound: 3-[5-(4-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole
L886-0311 Screening compound: 3-[5-(4-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0311
3-[5-(4-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole

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

L886-0311

Molecular Formula

C18H19FN6OS (C18 H19 FN6 OS)

Compound Name

3-[5-(4-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole

IUPAC name

3-[5-(4-fluorobenzoyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-124-triazole

SMILES

Cn1c(SC)nnc1-c1nn(C)c(CC2)c1CN2C(c(cc1)ccc1F)=O

InChI

InChI=1S/C18H19FN6OS/c1-23-16(20-21-18(23)27-3)15-13-10-25(9-8-14(13)24(2)22-15)17(26)11-4-6-12(19)7-5-11/h4-7H,8-10H2,1-3H3

InChI Key

KACAHWDQPFBGJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.155

Distribution Coefficient, logD

1.143

Water Solubility, LogSw

-2.16

Polar Surface Area

56.650

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L886-0311 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L886-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0311?
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What is the minimum amount of L886-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0311
  • 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 L886-0311 available by request