S565-1313 Screening compound: 1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-5-(3-methyl-1H-indazol-1-yl)pentane-1,5-dione

S565-1313 Screening compound: 1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-5-(3-methyl-1H-indazol-1-yl)pentane-1,5-dione
S565-1313 Screening compound: 1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-5-(3-methyl-1H-indazol-1-yl)pentane-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1313
1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-5-(3-methyl-1H-indazol-1-yl)pentane-1,5-dione

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

S565-1313

Molecular Formula

C24H28N8O2 (C24 H28 N8 O2)

Compound Name

1-[3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-5-(3-methyl-1H-indazol-1-yl)pentane-1,5-dione

IUPAC name

1-[3-(4-ethyl-4H-124-triazol-3-yl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]-5-(3-methyl-1H-indazol-1-yl)pentane-15-dione

SMILES

CCn1c(-c2nn(C)c(CC3)c2CN3C(CCCC(n2nc(C)c3c2cccc3)=O)=O)nnc1

InChI

InChI=1S/C24H28N8O2/c1-4-30-15-25-26-24(30)23-18-14-31(13-12-19(18)29(3)28-23)21(33)10-7-11-22(34)32-20-9-6-5-8-17(20)16(2)27-32/h5-6,8-9,15H,4,7,10-14H2,1-3H3

InChI Key

XMIHLIHHKAWKSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31982537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.293

Distribution Coefficient, logD

0.277

Water Solubility, LogSw

-1.64

Polar Surface Area

81.981

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

S565-1313 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 S565-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1313?
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What is the minimum amount of S565-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1313
  • 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 S565-1313 available by request