L886-0315 Screening compound: 3-[5-(3-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole

L886-0315 Screening compound: 3-[5-(3-fluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazole
L886-0315 Screening compound: 3-[5-(3-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 L886-0315
3-[5-(3-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

L886-0315

Molecular Formula

C18H19FN6OS (C18 H19 FN6 OS)

Compound Name

3-[5-(3-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-(3-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(c1cc(F)ccc1)=O

InChI

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

InChI Key

IKNDWWPZQSSZSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120236

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

1.165

Distribution Coefficient, logD

1.153

Water Solubility, LogSw

-2.27

Polar Surface Area

56.650

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L886-0315 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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L886-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0315?
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What is the minimum amount of L886-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0315
  • 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 L886-0315 available by request