S022-1832 Screening compound: 2-(4-methoxyphenyl)-7-[(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1832 Screening compound: 2-(4-methoxyphenyl)-7-[(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidyl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1832 Screening compound: 2-(4-methoxyphenyl)-7-[(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidyl)carbonyl]-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 S022-1832
2-(4-methoxyphenyl)-7-[(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-4-piperidyl)carbonyl]-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

S022-1832

Molecular Formula

C34H36N6O4 (C34 H36 N6 O4)

Compound Name

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

IUPAC name

5-(4-methoxyphenyl)-11-(1-{[5-methyl-2-(3-methylphenyl)-13-oxazol-4-yl]methyl}piperidine-4-carbonyl)-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cc1c(CN(CC2)CCC2C(N(CC2)CC(C3=O)=C2N=C2N3NC(c(cc3)ccc3OC)=C2)=O)nc(-c2cc(C)ccc2)o1

InChI

InChI=1S/C34H36N6O4/c1-21-5-4-6-25(17-21)32-36-30(22(2)44-32)20-38-14-11-24(12-15-38)33(41)39-16-13-28-27(19-39)34(42)40-31(35-28)18-29(37-40)23-7-9-26(43-3)10-8-23/h4-10,17-18,24,37H,11-16,19-20H2,1-3H3

InChI Key

GPCMRAJRSYIKEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.7

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

3.542

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-3.72

Polar Surface Area

86.192

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

S022-1832 in Drug Discovery

Included in Screening Libraries

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 S022-1832 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1832
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  • 2–4 weeks for large selections
Delivery formats for S022-1832
  • 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 S022-1832 available by request