S584-0342 Screening compound: 3-cyclopropyl-N-(3-fluorophenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

S584-0342 Screening compound: 3-cyclopropyl-N-(3-fluorophenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide
S584-0342 Screening compound: 3-cyclopropyl-N-(3-fluorophenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S584-0342
3-cyclopropyl-N-(3-fluorophenyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carboxamide

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

S584-0342

Molecular Formula

C16H18FN5O (C16 H18 FN5 O)

Compound Name

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

IUPAC name

3-cyclopropyl-N-(3-fluorophenyl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepine-7-carboxamide

SMILES

O=C(Nc1cccc(F)c1)N1CCn2c(C3CC3)nnc2CC1

InChI

InChI=1S/C16H18FN5O/c17-12-2-1-3-13(10-12)18-16(23)21-7-6-14-19-20-15(11-4-5-11)22(14)9-8-21/h1-3,10-11H,4-9H2,(H,18,23)

InChI Key

CRFSUVMZENOESL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.833

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-2.24

Polar Surface Area

51.063

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

S584-0342 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S584-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S584-0342?
Check Price and Availability of S584-0342, 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 S584-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S584-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S584-0342
  • 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 S584-0342 available by request