S565-1350 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-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione

S565-1350 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-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione
S565-1350 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-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1350
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-(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

S565-1350

Molecular Formula

C23H26N8O3 (C23 H26 N8 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-(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-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-(3-oxo-1234-tetrahydroquinoxalin-1-yl)butane-14-dione

SMILES

CCn1c(-c2nn(C)c(CC3)c2CN3C(CCC(N(C2)c(cccc3)c3NC2=O)=O)=O)nnc1

InChI

InChI=1S/C23H26N8O3/c1-3-29-14-24-26-23(29)22-15-12-30(11-10-17(15)28(2)27-22)20(33)8-9-21(34)31-13-19(32)25-16-6-4-5-7-18(16)31/h4-7,14H,3,8-13H2,1-2H3,(H,25,32)

InChI Key

LDMSCZXERUOSRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

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

-0.470

Distribution Coefficient, logD

-0.488

Water Solubility, LogSw

-1.96

Polar Surface Area

95.011

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

S565-1350 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with S565-1350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1350?
Check Price and Availability of S565-1350, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S565-1350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1350
  • 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 S565-1350 available by request