S436-0168 Screening compound: 6-methyl-2-{3-[1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S436-0168 Screening compound: 6-methyl-2-{3-[1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S436-0168 Screening compound: 6-methyl-2-{3-[1-(3-methylbenzoyl)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 S436-0168
6-methyl-2-{3-[1-(3-methylbenzoyl)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

S436-0168

Molecular Formula

C22H22N6O3 (C22 H22 N6 O3)

Compound Name

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

SMILES

Cc1cccc(C(N(CCC2)CC2c2noc(-c3nn(C=C(C)NC4=O)c4c3)n2)=O)c1

InChI

InChI=1S/C22H22N6O3/c1-13-5-3-6-15(9-13)22(30)27-8-4-7-16(12-27)19-24-21(31-26-19)17-10-18-20(29)23-14(2)11-28(18)25-17/h3,5-6,9-11,16H,4,7-8,12H2,1-2H3,(H,23,29)/t16-/m0/s1

InChI Key

PNMMYZKTJQYANU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29005851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.46

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

1.935

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-2.56

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

31.80

References: we are preparing a list of scientific research reports with S436-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S436-0168?
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What is the minimum amount of S436-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S436-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S436-0168
  • 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 S436-0168 available by request