S517-1363 Screening compound: 1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine

S517-1363 Screening compound: 1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
S517-1363 Screening compound: 1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S517-1363
1-{5,7-dimethyl-6-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl}-4-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-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

S517-1363

Molecular Formula

C28H35N7O (C28 H35 N7 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(CC(CC2)CCN2C(c2c3nc(C)c(Cc4ccc(C)cc4)c(C)n3nc2)=O)nnc1

InChI

InChI=1S/C28H35N7O/c1-18(2)34-17-29-32-26(34)15-23-10-12-33(13-11-23)28(36)25-16-30-35-21(5)24(20(4)31-27(25)35)14-22-8-6-19(3)7-9-22/h6-9,16-18,23H,10-15H2,1-5H3

InChI Key

ZJWROFKQTQNBLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.00

Polar Surface Area

63.263

Acid Dissociation Constant (pKa)

18.76

Base Dissociation Constant (pKb)

5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.43

S517-1363 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S517-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S517-1363?
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What is the minimum amount of S517-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S517-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S517-1363
  • 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 S517-1363 available by request