S893-0966 Screening compound: N,N-diethyl-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide
Chemical Structure Depiction of ChemDiv screening compound S893-0966
N,N-diethyl-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide
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
S893-0966
Molecular Formula
C18H30N4O3 (C18 H30 N4 O3)
Compound Name
N,N-diethyl-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide
IUPAC name
NN-diethyl-2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILES
CCN(CC)C(N(CCC1)C1c1nn(CCOC)c2c1COCC2)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
350.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.436
Distribution Coefficient, logD
1.436
Water Solubility, LogSw
-1.28
Polar Surface Area
49.144
Acid Dissociation Constant (pKa)
23.50
Base Dissociation Constant (pKb)
1.08
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
77.78
S893-0966 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S893-0966 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)