E920-0839 Screening compound: 3-(4-cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
Chemical Structure Depiction of ChemDiv screening compound E920-0839
3-(4-cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
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
E920-0839
Molecular Formula
C18H27N3O2 (C18 H27 N3 O2)
Compound Name
3-(4-cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
IUPAC name
3-(4-cyclohexylpiperazine-1-carbonyl)-4567-tetrahydro-12-benzoxazole
SMILES
O=C(c1noc2c1CCCC2)N(CC1)CCN1C1CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
317.43
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.644
Distribution Coefficient, logD
2.480
Water Solubility, LogSw
-2.52
Polar Surface Area
42.380
Acid Dissociation Constant (pKa)
20.81
Base Dissociation Constant (pKb)
7.06
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
77.80
E920-0839 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cardiovascular
- Kinases
- Kinases
- Ion Channels
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with E920-0839 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)