L886-0362 Screening compound: 3-[5-(5-bromofuran-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazole

L886-0362 Screening compound: 3-[5-(5-bromofuran-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazole
L886-0362 Screening compound: 3-[5-(5-bromofuran-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0362
3-[5-(5-bromofuran-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-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

L886-0362

Molecular Formula

C17H19BrN6O2S (C17 H19 BrN6 O2 S)

Compound Name

3-[5-(5-bromofuran-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazole

IUPAC name

3-[5-(5-bromofuran-2-carbonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-124-triazole

SMILES

CCn1c(SC)nnc1-c1nn(C)c(CC2)c1CN2C(c(o1)ccc1Br)=O

InChI

InChI=1S/C17H19BrN6O2S/c1-4-24-15(19-20-17(24)27-3)14-10-9-23(8-7-11(10)22(2)21-14)16(25)12-5-6-13(18)26-12/h5-6H,4,7-9H2,1-3H3

InChI Key

NNERCQUMXVUJJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.012

Distribution Coefficient, logD

1.974

Water Solubility, LogSw

-2.32

Polar Surface Area

64.491

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

L886-0362 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)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 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
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L886-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0362?
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What is the minimum amount of L886-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0362
  • 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 L886-0362 available by request