F475-0355 Screening compound: 2-(benzylamino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
Chemical Structure Depiction of ChemDiv screening compound F475-0355
2-(benzylamino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
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
F475-0355
Molecular Formula
C23H21N3O5S (C23 H21 N3 O5 S)
Compound Name
2-(benzylamino)-2-oxoethyl 4-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazin-3-yl)benzoate
IUPAC name
(benzylcarbamoyl)methyl 4-(11-dioxo-34-dihydro-2H-1lambda624-benzothiadiazin-3-yl)benzoate
SMILES
O=C(COC(c1ccc(C(Nc2c3cccc2)NS3(=O)=O)cc1)=O)NCc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
451.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
3.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.510
Distribution Coefficient, logD
2.509
Water Solubility, LogSw
-2.85
Polar Surface Area
97.430
Acid Dissociation Constant (pKa)
10.76
Base Dissociation Constant (pKb)
-2.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
13.00
F475-0355 in Drug Discovery
Included in Screening Libraries
Immunological Library (6760 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
PD-1/L1 Library (498 compounds)
Included in 1.7M Stock Database
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Cancer
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- Others
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with F475-0355 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)