S428-1094 Screening compound: 1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

S428-1094 Screening compound: 1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
S428-1094 Screening compound: 1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1094
1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

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

S428-1094

Molecular Formula

C30H36N6O3 (C30 H36 N6 O3)

Compound Name

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

IUPAC name

1-{57-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[15-a]pyrimidine-3-carbonyl}-4-{[3-(oxan-4-yl)-124-oxadiazol-5-yl]methyl}piperidine

SMILES

Cc1c(Cc2c(C)n3ncc(C(N4CCC(Cc5nc(C6CCOCC6)no5)CC4)=O)c3nc2C)cccc1

InChI

InChI=1S/C30H36N6O3/c1-19-6-4-5-7-24(19)17-25-20(2)32-29-26(18-31-36(29)21(25)3)30(37)35-12-8-22(9-13-35)16-27-33-28(34-39-27)23-10-14-38-15-11-23/h4-7,18,22-23H,8-17H2,1-3H3

InChI Key

MMXIHXMQZCHALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29011879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

5.147

Water Solubility, LogSw

-5.03

Polar Surface Area

76.312

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S428-1094 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1094?
Check Price and Availability of S428-1094, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S428-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1094
  • 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 S428-1094 available by request