L886-0048 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

L886-0048 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
L886-0048 Screening compound: 3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0048
3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-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

L886-0048

Molecular Formula

C22H28N6O4S (C22 H28 N6 O4 S)

Compound Name

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

IUPAC name

3-(ethylsulfanyl)-4-methyl-5-[1-methyl-5-(345-trimethoxybenzoyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4H-124-triazole

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3C(c(cc2OC)cc(OC)c2OC)=O)n1C

InChI

InChI=1S/C22H28N6O4S/c1-7-33-22-24-23-20(26(22)2)18-14-12-28(9-8-15(14)27(3)25-18)21(29)13-10-16(30-4)19(32-6)17(11-13)31-5/h10-11H,7-9,12H2,1-6H3

InChI Key

PTZYJMFHVHMFOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.242

Distribution Coefficient, logD

1.217

Water Solubility, LogSw

-1.96

Polar Surface Area

79.628

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

L886-0048 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L886-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0048?
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What is the minimum amount of L886-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0048
  • 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 L886-0048 available by request