C429-0044 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid
Chemical Structure Depiction of ChemDiv screening compound C429-0044
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic 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
C429-0044
Molecular Formula
C14H15NO4 (C14 H15 NO4)
Compound Name
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid
IUPAC name
(2S)-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid
SMILES
CC(C)CC(C(O)=O)N(C(c1c2cccc1)=O)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
261.28
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.148
Distribution Coefficient, logD
-2.010
Water Solubility, LogSw
-2.64
Polar Surface Area
57.096
Acid Dissociation Constant (pKa)
3.24
Base Dissociation Constant (pKb)
-8.24
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
35.71
C429-0044 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
STING Agonist Library (5895 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Immune system
- Others
References: we are preparing a list of scientific research reports with C429-0044 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)