D361-2515 Screening compound: 4-[4-(dimethylamino)phenyl]-3-methyl-1-(2-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
Chemical Structure Depiction of ChemDiv screening compound D361-2515
4-[4-(dimethylamino)phenyl]-3-methyl-1-(2-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
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
D361-2515
Molecular Formula
C22H24N4OS (C22 H24 N4 OS)
Compound Name
4-[4-(dimethylamino)phenyl]-3-methyl-1-(2-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
IUPAC name
4-[4-(dimethylamino)phenyl]-3-methyl-1-(2-methylphenyl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one
SMILES
Cc(c(C(c(cc1)ccc1N(C)C)SC1)c2NC1=O)nn2-c1c(C)cccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
392.52
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.221
Distribution Coefficient, logD
4.217
Water Solubility, LogSw
-4.25
Polar Surface Area
41.926
Acid Dissociation Constant (pKa)
10.70
Base Dissociation Constant (pKb)
5.31
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.30
D361-2515 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Allosteric Kinases Inhibitors Library (23117 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Epigenetics Focused Set (26518 compounds)
Recognition Elements PPI Library (24135 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cancer
- Female
- Congenital
- Skin
- Kinases
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with D361-2515 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)