S584-0360 Screening compound: ETHYL 5-({3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL}SULFONYL)-3-METHYL-1-BENZOFURAN-2-CARBOXYLATE

S584-0360 Screening compound: ETHYL 5-({3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL}SULFONYL)-3-METHYL-1-BENZOFURAN-2-CARBOXYLATE
S584-0360 Screening compound: ETHYL 5-({3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL}SULFONYL)-3-METHYL-1-BENZOFURAN-2-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound S584-0360
ETHYL 5-({3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL}SULFONYL)-3-METHYL-1-BENZOFURAN-2-CARBOXYLATE

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

S584-0360

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

ETHYL 5-({3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPIN-7-YL}SULFONYL)-3-METHYL-1-BENZOFURAN-2-CARBOXYLATE

IUPAC name

n/a

SMILES

CCOC(c1c(C)c(cc(cc2)S(N3CCn4c(C5CC5)nnc4CC3)(=O)=O)c2o1)=O

InChI

InChI=1S/C21H24N4O5S/c1-3-29-21(26)19-13(2)16-12-15(6-7-17(16)30-19)31(27,28)24-9-8-18-22-23-20(14-4-5-14)25(18)11-10-24/h6-7,12,14H,3-5,8-11H2,1-2H3

InChI Key

QMFDJWSXOMZCTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.017

Distribution Coefficient, logD

2.928

Water Solubility, LogSw

-3.28

Polar Surface Area

86.584

Acid Dissociation Constant (pKa)

20.78

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

S584-0360 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S584-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S584-0360?
Check Price and Availability of S584-0360, 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 S584-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S584-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S584-0360
  • 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 S584-0360 available by request