L886-0477 Screening compound: 1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one

L886-0477 Screening compound: 1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one
L886-0477 Screening compound: 1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0477
1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-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

L886-0477

Molecular Formula

C20H24N6OS2 (C20 H24 N6 OS2)

Compound Name

1-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one

IUPAC name

1-{3-[4-ethyl-5-(methylsulfanyl)-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-(phenylsulfanyl)ethan-1-one

SMILES

CCn1c(SC)nnc1-c1nn(C)c(CC2)c1CN2C(CSc1ccccc1)=O

InChI

InChI=1S/C20H24N6OS2/c1-4-26-19(21-22-20(26)28-3)18-15-12-25(11-10-16(15)24(2)23-18)17(27)13-29-14-8-6-5-7-9-14/h5-9H,4,10-13H2,1-3H3

InChI Key

XTNXZZLTJKDHEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.312

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-2.49

Polar Surface Area

55.038

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L886-0477 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0477?
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What is the minimum amount of L886-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0477
  • 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 L886-0477 available by request