S584-0332 Screening compound: N-CYCLOPENTYL-3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-D][1,4]DIAZEPINE-7-CARBOXAMIDE
Chemical Structure Depiction of ChemDiv screening compound S584-0332
N-CYCLOPENTYL-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
S584-0332
Molecular Formula
C15H23N5O (C15 H23 N5 O)
Compound Name
N-CYCLOPENTYL-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(NC1CCCC1)N1CCn2c(C3CC3)nnc2CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
289.38
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
1.550
Distribution Coefficient, logD
1.460
Water Solubility, LogSw
-1.95
Polar Surface Area
52.476
Acid Dissociation Constant (pKa)
17.18
Base Dissociation Constant (pKb)
6.77
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
80.00
S584-0332 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Fragment Library (4274 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
CNS MPO Library (28609 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
- 3D
- 3D
- Fragments
- Cyclic compounds
- Cancer
- Female
- Congenital
- Skin
- Nervous system
- Kinases
- PPI modulators
References: we are preparing a list of scientific research reports with S584-0332 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)