8019-0797 Screening compound: 1-(4-chlorophenyl)-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
Chemical Structure Depiction of ChemDiv screening compound 8019-0797
1-(4-chlorophenyl)-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
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
8019-0797
Molecular Formula
C16H11ClF6N2O2 (C16 H11 ClF6 N2 O2)
Compound Name
1-(4-chlorophenyl)-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
IUPAC name
1-(4-chlorophenyl)-3-[4-(111333-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
SMILES
OC(C(F)(F)F)(C(F)(F)F)c(cc1)ccc1NC(Nc(cc1)ccc1Cl)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
412.72
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.146
Distribution Coefficient, logD
5.077
Water Solubility, LogSw
-5.59
Polar Surface Area
47.610
Acid Dissociation Constant (pKa)
8.16
Base Dissociation Constant (pKb)
-0.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.80
8019-0797 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Antiparasite Library (23996 compounds)
CORONAVIRUS Library (20774 compounds)
Proline Kinase Library (2105 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Nervous system
- Male
- Female
- Endocrine
- Agro
- Kinases
References: we are preparing a list of scientific research reports with 8019-0797 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)