SC19-0290 Screening compound: cyclopropyl{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of ChemDiv screening compound SC19-0290
cyclopropyl{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone
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
SC19-0290
Molecular Formula
C18H28N4O2 (C18 H28 N4 O2)
Compound Name
cyclopropyl{4-[(1-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl]-1,4-diazepan-1-yl}methanone
IUPAC name
1-cyclopropanecarbonyl-4-({1-ethyl-1H4H6H7H-pyrano[43-c]pyrazol-3-yl}methyl)-14-diazepane
SMILES
CCn1nc(CN(CCC2)CCN2C(C2CC2)=O)c2c1CCOC2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
332.45
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.550
Distribution Coefficient, logD
-3.963
Water Solubility, LogSw
-0.24
Polar Surface Area
44.560
Acid Dissociation Constant (pKa)
22.91
Base Dissociation Constant (pKb)
11.91
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
77.78
SC19-0290 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS BBB Library (22607 compounds)
CNS MPO Library (28609 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
References: we are preparing a list of scientific research reports with SC19-0290 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)