S694-0437 Screening compound: 1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-5-methyl-2-(oxan-4-yl)-1H-imidazole
Chemical Structure Depiction of ChemDiv screening compound S694-0437
1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-5-methyl-2-(oxan-4-yl)-1H-imidazole
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
S694-0437
Molecular Formula
C19H27N5O2 (C19 H27 N5 O2)
Compound Name
1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-5-methyl-2-(oxan-4-yl)-1H-imidazole
IUPAC name
1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-5-methyl-2-(oxan-4-yl)-1H-imidazole
SMILES
CCn(cc1)nc1C(N(CC1)CC1n1c(C2CCOCC2)ncc1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
357.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
1.162
Distribution Coefficient, logD
-0.641
Water Solubility, LogSw
-1.54
Polar Surface Area
50.969
Acid Dissociation Constant (pKa)
23.55
Base Dissociation Constant (pKb)
9.20
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
63.16
S694-0437 in Drug Discovery
Included in Screening Libraries
CNS BBB Library (22607 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
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S694-0437 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)