6804-0079 Screening compound: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 6804-0079
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-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
6804-0079
Molecular Formula
C25H21ClN2O3 (C25 H21 ClN2 O3)
Compound Name
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
IUPAC name
N-[3-(13-benzoxazol-2-yl)-4-hydroxyphenyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
SMILES
Oc(ccc(NC(C1(CCCC1)c(cc1)ccc1Cl)=O)c1)c1-c1nc(cccc2)c2o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
432.91
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
6.896
Distribution Coefficient, logD
6.896
Water Solubility, LogSw
-6.04
Polar Surface Area
56.975
Acid Dissociation Constant (pKa)
10.50
Base Dissociation Constant (pKb)
2.30
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
6804-0079 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
CNS targets activity set (6557 compounds)
Cardiovascular Library (22201 compounds)
Dark Chemical Matter Library (18430 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Pool
- Proteases
References: we are preparing a list of scientific research reports with 6804-0079 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)