D009-0033 Screening compound: (2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(morpholin-4-yl)propyl]prop-2-enamide
Chemical Structure Depiction of ChemDiv screening compound D009-0033
(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(morpholin-4-yl)propyl]prop-2-enamide
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
D009-0033
Molecular Formula
C27H32FN5O5S (C27 H32 FN5 O5 S)
Compound Name
(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(morpholin-4-yl)propyl]prop-2-enamide
IUPAC name
(2Z)-3-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-2-[(2-fluorophenyl)formamido]-N-[3-(morpholin-4-yl)propyl]prop-2-enamide
SMILES
CN(C)S(n1c(cccc2)c2c(/C=C(/C(NCCCN2CCOCC2)=O)\NC(c(cccc2)c2F)=O)c1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
557.65
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
1.594
Distribution Coefficient, logD
1.594
Water Solubility, LogSw
-2.56
Polar Surface Area
91.660
Acid Dissociation Constant (pKa)
5.04
Base Dissociation Constant (pKb)
7.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
D009-0033 in Drug Discovery
Included in Screening Libraries
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- Pool
References: we are preparing a list of scientific research reports with D009-0033 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)