S720-2545 Screening compound: ethyl 3-({4-[2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}amino)propanoate
Chemical Structure Depiction of ChemDiv screening compound S720-2545
ethyl 3-({4-[2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}amino)propanoate
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
S720-2545
Molecular Formula
C23H34N4O5 (C23 H34 N4 O5)
Compound Name
ethyl 3-({4-[2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}amino)propanoate
IUPAC name
ethyl 3-({4-[(2S4S)-2-(methylcarbamoyl)-4-phenoxypyrrolidin-1-yl]piperidine-1-carbonyl}amino)propanoate
SMILES
CCOC(CCNC(N(CC1)CCC1N(C[C@H](C1)Oc2ccccc2)[C@@H]1C(NC)=O)=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
446.55
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.616
Distribution Coefficient, logD
1.605
Water Solubility, LogSw
-2.03
Polar Surface Area
81.485
Acid Dissociation Constant (pKa)
14.75
Base Dissociation Constant (pKb)
5.77
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
60.87
S720-2545 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Natural-Product-Based Library (3730 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Pool
- Mimetics
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with S720-2545 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)