S022-1734 Screening compound: 7-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1734 Screening compound: 7-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1734 Screening compound: 7-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1734
7-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-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

S022-1734

Molecular Formula

C28H26N6O3 (C28 H26 N6 O3)

Compound Name

7-{4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

IUPAC name

11-{4-[3-(4-methylphenyl)-124-oxadiazol-5-yl]butanoyl}-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cc(cc1)ccc1-c1noc(CCCC(N(CC2)CC(C3=O)=C2N=C2N3NC(c3ccccc3)=C2)=O)n1

InChI

InChI=1S/C28H26N6O3/c1-18-10-12-20(13-11-18)27-30-25(37-32-27)8-5-9-26(35)33-15-14-22-21(17-33)28(36)34-24(29-22)16-23(31-34)19-6-3-2-4-7-19/h2-4,6-7,10-13,16,31H,5,8-9,14-15,17H2,1H3

InChI Key

SKUIEWMAJSJOMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.713

Distribution Coefficient, logD

3.713

Water Solubility, LogSw

-3.84

Polar Surface Area

87.609

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S022-1734 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S022-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1734?
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What is the minimum amount of S022-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1734
  • 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 S022-1734 available by request