6843-3208 Screening compound: propan-2-yl 4-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoate
Chemical Structure Depiction of ChemDiv screening compound 6843-3208
propan-2-yl 4-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoate
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
6843-3208
Molecular Formula
C15H18N2O4 (C15 H18 N2 O4)
Compound Name
propan-2-yl 4-(5-amino-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoate
IUPAC name
propan-2-yl 4-(5-amino-13-dioxo-23-dihydro-1H-isoindol-2-yl)butanoate
SMILES
CC(C)OC(CCCN(C(c(cc1)c2cc1N)=O)C2=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
290.32
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
1.250
Distribution Coefficient, logD
1.250
Water Solubility, LogSw
-2.23
Polar Surface Area
70.385
Acid Dissociation Constant (pKa)
19.71
Base Dissociation Constant (pKb)
0.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
40.00
6843-3208 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with 6843-3208 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)