8014-8870 Screening compound: 3-[(4-phenyloxan-4-yl)formamido]propyl 1-phenylcyclohexane-1-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8014-8870
3-[(4-phenyloxan-4-yl)formamido]propyl 1-phenylcyclohexane-1-carboxylate
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
8014-8870
Molecular Formula
C28H35NO4 (C28 H35 NO4)
Compound Name
3-[(4-phenyloxan-4-yl)formamido]propyl 1-phenylcyclohexane-1-carboxylate
IUPAC name
3-[(4-phenyloxan-4-yl)formamido]propyl 1-phenylcyclohexane-1-carboxylate
SMILES
O=C(C1(CCOCC1)c1ccccc1)NCCCOC(C1(CCCCC1)c1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
449.59
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.155
Distribution Coefficient, logD
5.155
Water Solubility, LogSw
-5.23
Polar Surface Area
53.291
Acid Dissociation Constant (pKa)
14.20
Base Dissociation Constant (pKb)
4.34
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
8014-8870 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
CORONAVIRUS Library (20774 compounds)
PLpro Library (6343 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 8014-8870 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)