8013-2467 Screening compound: 4-ethoxy-N-[(3-{[(4-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound 8013-2467
4-ethoxy-N-[(3-{[(4-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide
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
8013-2467
Molecular Formula
C30H38N2O4 (C30 H38 N2 O4)
Compound Name
4-ethoxy-N-[(3-{[(4-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide
IUPAC name
4-ethoxy-N-[(3-{[(4-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide
SMILES
CCOc(cc1)ccc1C(NCC1(CC(C2)C3)CC3(CNC(c(cc3)ccc3OCC)=O)CC2C1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
490.64
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.041
Distribution Coefficient, logD
6.041
Water Solubility, LogSw
-5.64
Polar Surface Area
63.346
Acid Dissociation Constant (pKa)
13.33
Base Dissociation Constant (pKb)
-2.05
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
53.30
8013-2467 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Eye
- GPCR
- Ion Channels
- Receptor's ligands
References: we are preparing a list of scientific research reports with 8013-2467 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of 8013-2467, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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)