S368-0894 Screening compound: 6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S368-0894
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide
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
S368-0894
Molecular Formula
C23H24ClN3O4 (C23 H24 ClN3 O4)
Compound Name
6-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxamide
IUPAC name
6-(4-chlorophenyl)-N-[2-(34-dimethoxyphenyl)ethyl]-4H6H7H-pyrazolo[32-c][14]oxazine-2-carboxamide
SMILES
COc(ccc(CCNC(c1nn(CC(c(cc2)ccc2Cl)OC2)c2c1)=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
441.91
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.737
Distribution Coefficient, logD
2.737
Water Solubility, LogSw
-3.75
Polar Surface Area
61.497
Acid Dissociation Constant (pKa)
14.06
Base Dissociation Constant (pKb)
-2.23
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
30.40
S368-0894 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Eye
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Ion Channels
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S368-0894 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)