S429-1211 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-methylpiperidine

S429-1211 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-methylpiperidine
S429-1211 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1211
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-methylpiperidine

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

S429-1211

Molecular Formula

C28H32N6O2 (C28 H32 N6 O2)

Compound Name

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-methylpiperidine

IUPAC name

4-(5-cyclopropyl-124-oxadiazol-3-yl)-1-{57-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[15-a]pyrimidine-3-carbonyl}-4-methylpiperidine

SMILES

CC(CC1)(CCN1C(c1c2nc(C)c(Cc3ccc(C)cc3)c(C)n2nc1)=O)c1noc(C2CC2)n1

InChI

InChI=1S/C28H32N6O2/c1-17-5-7-20(8-6-17)15-22-18(2)30-24-23(16-29-34(24)19(22)3)26(35)33-13-11-28(4,12-14-33)27-31-25(36-32-27)21-9-10-21/h5-8,16,21H,9-15H2,1-4H3

InChI Key

HKBGQDUSBLUTAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.52

Polar Surface Area

69.068

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.43

S429-1211 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S429-1211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1211?
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What is the minimum amount of S429-1211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1211
  • 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 S429-1211 available by request