F724-0230 Screening compound: 2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-pentanamidoquinoline-4-carboxylic acid
Chemical Structure Depiction of ChemDiv screening compound F724-0230
2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-pentanamidoquinoline-4-carboxylic acid
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
F724-0230
Molecular Formula
C25H35N5O4 (C25 H35 N5 O4)
Compound Name
2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-pentanamidoquinoline-4-carboxylic acid
IUPAC name
2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-pentanamidoquinoline-4-carboxylic acid
SMILES
CCCCC(Nc(cc1c(C(O)=O)c2)ccc1nc2N1CCN(CC(NC(C)(C)C)=O)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
3HCl
Molecular Weight
469.58
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
4.426
Distribution Coefficient, logD
1.482
Water Solubility, LogSw
-4.05
Polar Surface Area
90.150
Acid Dissociation Constant (pKa)
4.46
Base Dissociation Constant (pKb)
5.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
52.00
F724-0230 in Drug Discovery
Included in Screening Libraries
Macl-GPIb alpha Interaction Library (22969 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
SmartTM Library (51161 compounds)
Epigenetics Focused Set (26518 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Cancer
- Endocrine
- Kinases
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with F724-0230 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)