L886-0136 Screening compound: 1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one

L886-0136 Screening compound: 1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one
L886-0136 Screening compound: 1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0136
1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-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

L886-0136

Molecular Formula

C16H24N6OS (C16 H24 N6 OS)

Compound Name

1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}butan-1-one

IUPAC name

1-{3-[5-(ethylsulfanyl)-4-methyl-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}butan-1-one

SMILES

CCCC(N(CC1)Cc2c1n(C)nc2-c(n1C)nnc1SCC)=O

InChI

InChI=1S/C16H24N6OS/c1-5-7-13(23)22-9-8-12-11(10-22)14(19-21(12)4)15-17-18-16(20(15)3)24-6-2/h5-10H2,1-4H3

InChI Key

CINUITUKRVMVTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.326

Distribution Coefficient, logD

1.302

Water Solubility, LogSw

-1.44

Polar Surface Area

56.394

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

L886-0136 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0136?
Check Price and Availability of L886-0136, 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 L886-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0136
  • 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 L886-0136 available by request