C865-0014 Screening compound: N'-(2,4-difluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
Chemical Structure Depiction of ChemDiv screening compound C865-0014
N'-(2,4-difluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
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
C865-0014
Molecular Formula
C22H20F2N4O3 (C22 H20 F2 N4 O3)
Compound Name
N'-(2,4-difluorophenyl)-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazolin-2-yl}propanediamide
IUPAC name
N'-(24-difluorophenyl)-N-{12-oxo-6H7H8H9H10H12H-azepino[21-b]quinazolin-2-yl}propanediamide
SMILES
O=C(CC(Nc(ccc(F)c1)c1F)=O)Nc(cc1)cc2c1N=C(CCCCC1)N1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
426.42
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.171
Distribution Coefficient, logD
2.162
Water Solubility, LogSw
-3.14
Polar Surface Area
72.049
Acid Dissociation Constant (pKa)
9.11
Base Dissociation Constant (pKb)
3.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
C865-0014 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Antiviral Library (67538 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Antiviral
- Infections
- Immune system
- Kinases
References: we are preparing a list of scientific research reports with C865-0014 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)