S565-1545 Screening compound: 1-({3-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazol-4-yl}methyl)-4-methylpiperidine

S565-1545 Screening compound: 1-({3-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazol-4-yl}methyl)-4-methylpiperidine
S565-1545 Screening compound: 1-({3-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazol-4-yl}methyl)-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1545
1-({3-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazol-4-yl}methyl)-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

S565-1545

Molecular Formula

C28H34N8O2 (C28 H34 N8 O2)

Compound Name

1-({3-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazol-4-yl}methyl)-4-methylpiperidine

IUPAC name

1-({3-[3-(4-benzyl-4H-124-triazol-3-yl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl]-5-methyl-12-oxazol-4-yl}methyl)-4-methylpiperidine

SMILES

CC1CCN(Cc2c(C)onc2C(N(CC2)Cc3c2n(C)nc3-c2nncn2Cc2ccccc2)=O)CC1

InChI

InChI=1S/C28H34N8O2/c1-19-9-12-34(13-10-19)16-22-20(2)38-32-26(22)28(37)35-14-11-24-23(17-35)25(31-33(24)3)27-30-29-18-36(27)15-21-7-5-4-6-8-21/h4-8,18-19H,9-17H2,1-3H3

InChI Key

BCTGLSZSPVLQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31978240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

-3.336

Water Solubility, LogSw

-2.09

Polar Surface Area

81.615

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

12.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.43

S565-1545 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S565-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1545?
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What is the minimum amount of S565-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1545
  • 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 S565-1545 available by request