S436-0171 Screening compound: 2-[3-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S436-0171 Screening compound: 2-[3-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S436-0171 Screening compound: 2-[3-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S436-0171
2-[3-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-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

S436-0171

Molecular Formula

C21H20N6O3 (C21 H20 N6 O3)

Compound Name

2-[3-(1-benzoylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]-6-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

IUPAC name

2-[3-(1-benzoylpiperidin-3-yl)-124-oxadiazol-5-yl]-6-methyl-4H5H-pyrazolo[15-a]pyrazin-4-one

SMILES

CC(NC(c1c2)=O)=Cn1nc2-c1nc(C(CCC2)CN2C(c2ccccc2)=O)no1

InChI

InChI=1S/C21H20N6O3/c1-13-11-27-17(19(28)22-13)10-16(24-27)20-23-18(25-30-20)15-8-5-9-26(12-15)21(29)14-6-3-2-4-7-14/h2-4,6-7,10-11,15H,5,8-9,12H2,1H3,(H,22,28)/t15-/m0/s1

InChI Key

IAUMKEBIJIFOIX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29005852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

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

1.543

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.25

Polar Surface Area

85.768

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with S436-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S436-0171?
Check Price and Availability of S436-0171, 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 S436-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S436-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S436-0171
  • 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 S436-0171 available by request