S022-1829 Screening compound: 2-(4-methoxyphenyl)-7-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1829 Screening compound: 2-(4-methoxyphenyl)-7-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1829 Screening compound: 2-(4-methoxyphenyl)-7-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-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 S022-1829
2-(4-methoxyphenyl)-7-{3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}-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

S022-1829

Molecular Formula

C28H26N6O4 (C28 H26 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2noc(CCC(N(CC3)CC(C4=O)=C3N=C3N4NC(c(cc4)ccc4OC)=C3)=O)n2)c1

InChI

InChI=1S/C28H26N6O4/c1-17-4-3-5-19(14-17)27-30-25(38-32-27)10-11-26(35)33-13-12-22-21(16-33)28(36)34-24(29-22)15-23(31-34)18-6-8-20(37-2)9-7-18/h3-9,14-15,31H,10-13,16H2,1-2H3

InChI Key

VTLTYTCVGVOADM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-3.78

Polar Surface Area

95.153

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S022-1829 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S022-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1829?
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What is the minimum amount of S022-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1829
  • 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 S022-1829 available by request