S436-0119 Screening compound: 6-methyl-2-{3-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S436-0119 Screening compound: 6-methyl-2-{3-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S436-0119 Screening compound: 6-methyl-2-{3-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S436-0119
6-methyl-2-{3-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-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

S436-0119

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

6-methyl-2-{3-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

6-methyl-2-{3-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-124-oxadiazol-5-yl}-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

Cc1ccc(C(N(CCC2)CC2c2noc(-c3nn(C=C(C)NC4=O)c4c3)n2)=O)s1

InChI

InChI=1S/C20H20N6O3S/c1-11-9-26-15(18(27)21-11)8-14(23-26)19-22-17(24-29-19)13-4-3-7-25(10-13)20(28)16-6-5-12(2)30-16/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,21,27)/t13-/m0/s1

InChI Key

HFZKHSAXAQYOGC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29005845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.420

Distribution Coefficient, logD

2.381

Water Solubility, LogSw

-2.97

Polar Surface Area

86.786

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

S436-0119 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S436-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S436-0119?
Check Price and Availability of S436-0119, 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 S436-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S436-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S436-0119
  • 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 S436-0119 available by request