D443-0424 Screening compound: 7-bromo-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound D443-0424
7-bromo-N-(4-butylphenyl)-1-benzoxepine-4-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
D443-0424
Molecular Formula
C21H20BrNO2 (C21 H20 BrNO2)
Compound Name
7-bromo-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide
IUPAC name
7-bromo-N-(4-butylphenyl)-1-benzoxepine-4-carboxamide
SMILES
CCCCc(cc1)ccc1NC(C1=Cc(cc(cc2)Br)c2OC=C1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
398.3
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
6.789
Distribution Coefficient, logD
6.789
Water Solubility, LogSw
-5.66
Polar Surface Area
28.954
Acid Dissociation Constant (pKa)
12.24
Base Dissociation Constant (pKb)
2.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.00
D443-0424 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Protein-Protein Interaction Library (218420 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with D443-0424 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)