S428-1374 Screening compound: 5-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

S428-1374 Screening compound: 5-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
S428-1374 Screening compound: 5-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1374
5-(1-{5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}pyrrolidin-2-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

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

S428-1374

Molecular Formula

C28H32N6O3 (C28 H32 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc2c(C)n3ncc(C(N(CCC4)C4c4nc(C5CCOCC5)no4)=O)c3nc2C)cccc1

InChI

InChI=1S/C28H32N6O3/c1-17-7-4-5-8-21(17)15-22-18(2)30-26-23(16-29-34(26)19(22)3)28(35)33-12-6-9-24(33)27-31-25(32-37-27)20-10-13-36-14-11-20/h4-5,7-8,16,20,24H,6,9-15H2,1-3H3/t24-/m0/s1

InChI Key

KOCYFDPJZAYVPC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29011930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.567

Distribution Coefficient, logD

4.567

Water Solubility, LogSw

-4.29

Polar Surface Area

76.706

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

S428-1374 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1374?
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What is the minimum amount of S428-1374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1374
  • 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 S428-1374 available by request