L886-0412 Screening compound: 3-[5-(2,6-difluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazole

L886-0412 Screening compound: 3-[5-(2,6-difluorobenzoyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazole
L886-0412 Screening compound: 3-[5-(2,6-difluorobenzoyl)-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 L886-0412
3-[5-(2,6-difluorobenzoyl)-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

L886-0412

Molecular Formula

C19H20F2N6OS (C19 H20 F2 N6 OS)

Compound Name

3-[5-(2,6-difluorobenzoyl)-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-(26-difluorobenzoyl)-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(c(F)ccc1)c1F)=O

InChI

InChI=1S/C19H20F2N6OS/c1-4-27-17(22-23-19(27)29-3)16-11-10-26(9-8-14(11)25(2)24-16)18(28)15-12(20)6-5-7-13(15)21/h5-7H,4,8-10H2,1-3H3

InChI Key

SSVOMPNTYOLJGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27484219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

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

1.986

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.34

Polar Surface Area

55.565

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

L886-0412 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Hsp90-Targeted Library (11355 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
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0412?
Check Price and Availability of L886-0412, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L886-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0412
  • 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 L886-0412 available by request