S543-0555 Screening compound: 4-{1-cyclopropyl[(propan-2-yl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S543-0555
4-{1-cyclopropyl[(propan-2-yl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-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
S543-0555
Molecular Formula
C25H38N4O3 (C25 H38 N4 O3)
Compound Name
4-{1-cyclopropyl[(propan-2-yl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
IUPAC name
4-{1-cyclopropyl[(propan-2-yl)carbamoyl]amino}-N-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILES
CC(C)NC(N(C1CC1)C1CC(CC2)(CCN2C(NCc2ccc(C)cc2)=O)OCC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
442.6
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.330
Distribution Coefficient, logD
3.329
Water Solubility, LogSw
-3.48
Polar Surface Area
57.696
Acid Dissociation Constant (pKa)
14.51
Base Dissociation Constant (pKb)
2.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
68.00
S543-0555 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S543-0555 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of S543-0555, 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)