S586-1100 Screening compound: 3-[5-(benzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-N-benzylpropanamide

S586-1100 Screening compound: 3-[5-(benzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-N-benzylpropanamide
S586-1100 Screening compound: 3-[5-(benzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-N-benzylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-1100
3-[5-(benzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-N-benzylpropanamide

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

S586-1100

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

3-[5-(benzenesulfonyl)-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-N-benzylpropanamide

IUPAC name

3-[5-(benzenesulfonyl)-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl]-N-benzylpropanamide

SMILES

O=C(CCc1c(CN(CC2)S(c3ccccc3)(=O)=O)n2nn1)NCc1ccccc1

InChI

InChI=1S/C21H23N5O3S/c27-21(22-15-17-7-3-1-4-8-17)12-11-19-20-16-25(13-14-26(20)24-23-19)30(28,29)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,22,27)

InChI Key

APROFTGLUHLDRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31990481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.368

Distribution Coefficient, logD

1.368

Water Solubility, LogSw

-2.31

Polar Surface Area

82.893

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

S586-1100 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S586-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-1100?
Check Price and Availability of S586-1100, 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 S586-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-1100
  • 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 S586-1100 available by request