S584-0347 Screening compound: 3-cyclopropyl-7-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine

S584-0347 Screening compound: 3-cyclopropyl-7-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine
S584-0347 Screening compound: 3-cyclopropyl-7-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound S584-0347
3-cyclopropyl-7-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine

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

S584-0347

Molecular Formula

C15H17FN4O2S (C15 H17 FN4 O2 S)

Compound Name

3-cyclopropyl-7-(4-fluorobenzenesulfonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine

IUPAC name

3-cyclopropyl-7-(4-fluorobenzenesulfonyl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepine

SMILES

O=S(c(cc1)ccc1F)(N1CCn2c(C3CC3)nnc2CC1)=O

InChI

InChI=1S/C15H17FN4O2S/c16-12-3-5-13(6-4-12)23(21,22)19-8-7-14-17-18-15(11-1-2-11)20(14)10-9-19/h3-6,11H,1-2,7-10H2

InChI Key

IEBSHRYTTLAJHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31991437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.752

Distribution Coefficient, logD

1.664

Water Solubility, LogSw

-2.40

Polar Surface Area

57.305

Acid Dissociation Constant (pKa)

20.78

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

S584-0347 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S584-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S584-0347?
Check Price and Availability of S584-0347, 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 S584-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S584-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S584-0347
  • 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 S584-0347 available by request