S694-0343 Screening compound: 3-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1H-indazole
Chemical Structure Depiction of ChemDiv screening compound S694-0343
3-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1H-indazole
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
S694-0343
Molecular Formula
C21H25N5O2 (C21 H25 N5 O2)
Compound Name
3-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1H-indazole
IUPAC name
3-{3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]pyrrolidine-1-carbonyl}-1H-indazole
SMILES
Cc1cnc(C2CCOCC2)n1C(CC1)CN1C(c1n[nH]c2c1cccc2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
379.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.249
Distribution Coefficient, logD
0.446
Water Solubility, LogSw
-2.50
Polar Surface Area
59.831
Acid Dissociation Constant (pKa)
14.84
Base Dissociation Constant (pKb)
9.20
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.62
S694-0343 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
CNS BBB Library (22607 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein Kinases Inhibitors Library (36801 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
- 3D
- Mimetics
- Mimetics
- Cyclic compounds
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- PPI modulators
- Kinases
References: we are preparing a list of scientific research reports with S694-0343 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)