S436-0103 Screening compound: 2-{3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-6-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S436-0103 Screening compound: 2-{3-[1-(4-ethylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-6-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S436-0103 Screening compound: 2-{3-[1-(4-ethylbenzoyl)piperidin-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 S436-0103
2-{3-[1-(4-ethylbenzoyl)piperidin-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

S436-0103

Molecular Formula

C23H24N6O3 (C23 H24 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1C(N(CCC1)CC1c1noc(-c2nn(C=C(C)NC3=O)c3c2)n1)=O

InChI

InChI=1S/C23H24N6O3/c1-3-15-6-8-16(9-7-15)23(31)28-10-4-5-17(13-28)20-25-22(32-27-20)18-11-19-21(30)24-14(2)12-29(19)26-18/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,24,30)/t17-/m0/s1

InChI Key

WHZAJHHSGOPTBW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29005843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.579

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-2.97

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

34.80

References: we are preparing a list of scientific research reports with S436-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S436-0103?
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What is the minimum amount of S436-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S436-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S436-0103
  • 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 S436-0103 available by request