L886-0215 Screening compound: {1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(3-methylphenyl)methanone

L886-0215 Screening compound: {1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(3-methylphenyl)methanone
L886-0215 Screening compound: {1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(3-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0215
{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(3-methylphenyl)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

L886-0215

Molecular Formula

C19H22N6OS (C19 H22 N6 OS)

Compound Name

{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(3-methylphenyl)methanone

IUPAC name

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

SMILES

Cc1cccc(C(N(CC2)Cc3c2n(C)nc3-c(n2C)nnc2SC)=O)c1

InChI

InChI=1S/C19H22N6OS/c1-12-6-5-7-13(10-12)18(26)25-9-8-15-14(11-25)16(22-24(15)3)17-20-21-19(27-4)23(17)2/h5-7,10H,8-9,11H2,1-4H3

InChI Key

HEVMRPWWEQGENJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

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

1.413

Distribution Coefficient, logD

1.401

Water Solubility, LogSw

-2.24

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

36.84

L886-0215 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0215?
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What is the minimum amount of L886-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0215
  • 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 L886-0215 available by request