S584-0322 Screening compound: N-CYCLOHEXYL-3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPINE-7-CARBOXAMIDE

S584-0322 Screening compound: N-CYCLOHEXYL-3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPINE-7-CARBOXAMIDE
S584-0322 Screening compound: N-CYCLOHEXYL-3-CYCLOPROPYL-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 S584-0322
N-CYCLOHEXYL-3-CYCLOPROPYL-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

S584-0322

Molecular Formula

C16H25N5O (C16 H25 N5 O)

Compound Name

N-CYCLOHEXYL-3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPINE-7-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(NC1CCCCC1)N1CCn2c(C3CC3)nnc2CC1

InChI

InChI=1S/C16H25N5O/c22-16(17-13-4-2-1-3-5-13)20-9-8-14-18-19-15(12-6-7-12)21(14)11-10-20/h12-13H,1-11H2,(H,17,22)

InChI Key

PXWDZIJFMKHVGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.41

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

2.006

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.28

Polar Surface Area

52.110

Acid Dissociation Constant (pKa)

16.52

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.30

S584-0322 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S584-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S584-0322?
Check Price and Availability of S584-0322, 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 S584-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S584-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S584-0322
  • 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 S584-0322 available by request