S436-0143 Screening compound: 6-methyl-2-{3-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one

S436-0143 Screening compound: 6-methyl-2-{3-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl}-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
S436-0143 Screening compound: 6-methyl-2-{3-[1-(thiophene-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 S436-0143
6-methyl-2-{3-[1-(thiophene-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

S436-0143

Molecular Formula

C19H18N6O3S (C19 H18 N6 O3 S)

Compound Name

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

SMILES

CC(NC(c1c2)=O)=Cn1nc2-c1nc(C(CCC2)CN2C(c2cccs2)=O)no1

InChI

InChI=1S/C19H18N6O3S/c1-11-9-25-14(17(26)20-11)8-13(22-25)18-21-16(23-28-18)12-4-2-6-24(10-12)19(27)15-5-3-7-29-15/h3,5,7-9,12H,2,4,6,10H2,1H3,(H,20,26)/t12-/m0/s1

InChI Key

OACFUROYCMCNDQ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29005848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.46

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

1.784

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-2.59

Polar Surface Area

86.786

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

S436-0143 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Immunological Library (6760 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S436-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S436-0143?
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What is the minimum amount of S436-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S436-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S436-0143
  • 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 S436-0143 available by request