L886-0242 Screening compound: 1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(thiophen-2-yl)ethan-1-one

L886-0242 Screening compound: 1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(thiophen-2-yl)ethan-1-one
L886-0242 Screening compound: 1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0242
1-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-(thiophen-2-yl)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

L886-0242

Molecular Formula

C17H20N6OS2 (C17 H20 N6 OS2)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SC)nnc1-c1nn(C)c(CC2)c1CN2C(Cc1cccs1)=O

InChI

InChI=1S/C17H20N6OS2/c1-21-16(18-19-17(21)25-3)15-12-10-23(7-6-13(12)22(2)20-15)14(24)9-11-5-4-8-26-11/h4-5,8H,6-7,9-10H2,1-3H3

InChI Key

BBSQJBRUFZPICF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.52

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

1.045

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-2.06

Polar Surface Area

57.141

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

L886-0242 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0242?
Check Price and Availability of L886-0242, 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 L886-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0242
  • 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 L886-0242 available by request