F594-0576 Screening compound: 3-(acetylamino)-N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~1~-(3-oxo-3-piperazinopropyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound F594-0576
3-(acetylamino)-N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~1~-(3-oxo-3-piperazinopropyl)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
F594-0576
Molecular Formula
C23H35N5O3 (C23 H35 N5 O3)
Compound Name
3-(acetylamino)-N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-N~1~-(3-oxo-3-piperazinopropyl)benzamide
IUPAC name
n/a
SMILES
CCN1C(CN(CCC(N2CCNCC2)=O)C(c2cc(NC(C)=O)ccc2)=O)CCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
CF3COOH
Molecular Weight
429.56
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
-0.437
Distribution Coefficient, logD
-1.265
Water Solubility, LogSw
-1.81
Polar Surface Area
71.678
Acid Dissociation Constant (pKa)
13.32
Base Dissociation Constant (pKb)
8.16
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
60.90
F594-0576 in Drug Discovery
Included in Screening Libraries
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with F594-0576 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)