V018-5060 Screening compound: 4-fluoro-N-(6-{4-[(2-hydroxyphenyl)methyl]piperazin-1-yl}pyridin-3-yl)benzene-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound V018-5060
4-fluoro-N-(6-{4-[(2-hydroxyphenyl)methyl]piperazin-1-yl}pyridin-3-yl)benzene-1-sulfonamide
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
V018-5060
Molecular Formula
C22H23FN4O3S (C22 H23 FN4 O3 S)
Compound Name
4-fluoro-N-(6-{4-[(2-hydroxyphenyl)methyl]piperazin-1-yl}pyridin-3-yl)benzene-1-sulfonamide
IUPAC name
4-fluoro-N-(6-{4-[(2-hydroxyphenyl)methyl]piperazin-1-yl}pyridin-3-yl)benzene-1-sulfonamide
SMILES
Oc1c(CN(CC2)CCN2c(cc2)ncc2NS(c(cc2)ccc2F)(=O)=O)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
not_available
Molecular Weight
442.51
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
3.834
Distribution Coefficient, logD
3.505
Water Solubility, LogSw
-3.32
Polar Surface Area
73.030
Acid Dissociation Constant (pKa)
7.80
Base Dissociation Constant (pKb)
7.12
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
22.70
V018-5060 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PI3K-Targeted Library (17255 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
References: we are preparing a list of scientific research reports with V018-5060 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)