S584-0346 Screening compound: 3-CYCLOPROPYL-5,6,8,9-TETRAHYDRO-7H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL PROPYL SULFONE

S584-0346 Screening compound: 3-CYCLOPROPYL-5,6,8,9-TETRAHYDRO-7H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL PROPYL SULFONE
S584-0346 Screening compound: 3-CYCLOPROPYL-5,6,8,9-TETRAHYDRO-7H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL PROPYL SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S584-0346
3-CYCLOPROPYL-5,6,8,9-TETRAHYDRO-7H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL PROPYL SULFONE

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

S584-0346

Molecular Formula

C12H20N4O2S (C12 H20 N4 O2 S)

Compound Name

3-CYCLOPROPYL-5,6,8,9-TETRAHYDRO-7H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL PROPYL SULFONE

IUPAC name

3-cyclopropyl-7-(propane-1-sulfonyl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepine

SMILES

CCCS(N1CCn2c(C3CC3)nnc2CC1)(=O)=O

InChI

InChI=1S/C12H20N4O2S/c1-2-9-19(17,18)15-6-5-11-13-14-12(10-3-4-10)16(11)8-7-15/h10H,2-9H2,1H3

InChI Key

RXFVCMFLCOKAAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.704

Distribution Coefficient, logD

0.616

Water Solubility, LogSw

-1.32

Polar Surface Area

57.470

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.33

S584-0346 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S584-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S584-0346?
Check Price and Availability of S584-0346, 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 S584-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S584-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S584-0346
  • 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 S584-0346 available by request