S565-1597 Screening compound: 1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione

S565-1597 Screening compound: 1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione
S565-1597 Screening compound: 1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1597
1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-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

S565-1597

Molecular Formula

C27H26N8O3 (C27 H26 N8 O3)

Compound Name

1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione

IUPAC name

1-[1-methyl-3-(4-phenyl-4H-124-triazol-3-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]-4-(3-oxo-1234-tetrahydroquinoxalin-1-yl)butane-14-dione

SMILES

Cn(c(CC1)c2CN1C(CCC(N(C1)c(cccc3)c3NC1=O)=O)=O)nc2-c1nncn1-c1ccccc1

InChI

InChI=1S/C27H26N8O3/c1-32-21-13-14-33(15-19(21)26(31-32)27-30-28-17-35(27)18-7-3-2-4-8-18)24(37)11-12-25(38)34-16-23(36)29-20-9-5-6-10-22(20)34/h2-10,17H,11-16H2,1H3,(H,29,36)

InChI Key

PGNCOMCYMHVUMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.729

Distribution Coefficient, logD

0.726

Water Solubility, LogSw

-2.08

Polar Surface Area

95.473

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

S565-1597 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 S565-1597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1597?
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What is the minimum amount of S565-1597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1597
  • 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 S565-1597 available by request