S565-1310 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]-4-(morpholin-4-yl)butane-1,4-dione

S565-1310 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]-4-(morpholin-4-yl)butane-1,4-dione
S565-1310 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]-4-(morpholin-4-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1310
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]-4-(morpholin-4-yl)butane-1,4-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

S565-1310

Molecular Formula

C19H27N7O3 (C19 H27 N7 O3)

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]-4-(morpholin-4-yl)butane-1,4-dione

IUPAC name

1-[3-(4-ethyl-4H-124-triazol-3-yl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]-4-(morpholin-4-yl)butane-14-dione

SMILES

CCn1c(-c2nn(C)c(CC3)c2CN3C(CCC(N2CCOCC2)=O)=O)nnc1

InChI

InChI=1S/C19H27N7O3/c1-3-24-13-20-21-19(24)18-14-12-26(7-6-15(14)23(2)22-18)17(28)5-4-16(27)25-8-10-29-11-9-25/h13H,3-12H2,1-2H3

InChI Key

JAIWNGUELFIPPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

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

-1.729

Distribution Coefficient, logD

-1.746

Water Solubility, LogSw

0.01

Polar Surface Area

79.421

Acid Dissociation Constant (pKa)

19.88

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

S565-1310 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S565-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1310?
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What is the minimum amount of S565-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1310
  • 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 S565-1310 available by request