S565-1542 Screening compound: 4-benzyl-3-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole

S565-1542 Screening compound: 4-benzyl-3-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole
S565-1542 Screening compound: 4-benzyl-3-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1542
4-benzyl-3-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole

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

S565-1542

Molecular Formula

C27H29N9O2 (C27 H29 N9 O2)

Compound Name

4-benzyl-3-{5-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4H-1,2,4-triazole

IUPAC name

4-benzyl-3-{5-[5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carbonyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-4H-124-triazole

SMILES

CCn1nc(C)c(-c2cc(C(N(CC3)Cc4c3n(C)nc4-c3nncn3Cc3ccccc3)=O)no2)c1C

InChI

InChI=1S/C27H29N9O2/c1-5-36-18(3)24(17(2)30-36)23-13-21(32-38-23)27(37)34-12-11-22-20(15-34)25(31-33(22)4)26-29-28-16-35(26)14-19-9-7-6-8-10-19/h6-10,13,16H,5,11-12,14-15H2,1-4H3

InChI Key

WTYNFCUGIHMXQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.439

Distribution Coefficient, logD

1.439

Water Solubility, LogSw

-1.95

Polar Surface Area

91.464

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S565-1542 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)

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 S565-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1542?
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What is the minimum amount of S565-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1542
  • 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 S565-1542 available by request