S595-1227 Screening compound: 1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

S595-1227 Screening compound: 1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine
S595-1227 Screening compound: 1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S595-1227
1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-2-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}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

S595-1227

Molecular Formula

C32H34N6O3 (C32 H34 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cc2c(C)n3ncc(C(N(CCCC4)C4c4noc(COc5ccc(C)cc5)n4)=O)c3nc2C)cc1

InChI

InChI=1S/C32H34N6O3/c1-20-8-12-24(13-9-20)17-26-22(3)34-31-27(18-33-38(31)23(26)4)32(39)37-16-6-5-7-28(37)30-35-29(41-36-30)19-40-25-14-10-21(2)11-15-25/h8-15,18,28H,5-7,16-17,19H2,1-4H3/t28-/m0/s1

InChI Key

RRDCDKFRPBGGDW-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD30464895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

5.832

Water Solubility, LogSw

-5.29

Polar Surface Area

75.404

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.38

S595-1227 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S595-1227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S595-1227?
Check Price and Availability of S595-1227, 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 S595-1227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S595-1227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S595-1227
  • 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 S595-1227 available by request