L886-0137 Screening compound: 1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one

L886-0137 Screening compound: 1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one
L886-0137 Screening compound: 1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0137
1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one

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

L886-0137

Molecular Formula

C16H24N6OS (C16 H24 N6 OS)

Compound Name

1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one

IUPAC name

1-{3-[5-(ethylsulfanyl)-4-methyl-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-methylpropan-1-one

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3C(C(C)C)=O)n1C

InChI

InChI=1S/C16H24N6OS/c1-6-24-16-18-17-14(20(16)4)13-11-9-22(15(23)10(2)3)8-7-12(11)21(5)19-13/h10H,6-9H2,1-5H3

InChI Key

SVQWDLXUYOMILU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.190

Distribution Coefficient, logD

1.166

Water Solubility, LogSw

-1.54

Polar Surface Area

56.922

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

L886-0137 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with L886-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0137?
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What is the minimum amount of L886-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0137
  • 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 L886-0137 available by request