D356-2653 Screening compound: 9-fluoro-6-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
Chemical Structure Depiction of ChemDiv screening compound D356-2653
9-fluoro-6-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
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
D356-2653
Molecular Formula
C24H21F2N3O3S (C24 H21 F2 N3 O3 S)
Compound Name
9-fluoro-6-{2-[4-(4-fluorophenyl)piperazino]-2-oxoethyl}-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
IUPAC name
13-fluoro-9-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-88-dione
SMILES
O=C(CN(c(ccc(F)c1)c1-c1c2cccc1)S2(=O)=O)N(CC1)CCN1c(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
469.51
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.703
Distribution Coefficient, logD
3.703
Water Solubility, LogSw
-4.11
Polar Surface Area
50.415
Acid Dissociation Constant (pKa)
19.55
Base Dissociation Constant (pKb)
5.49
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.80
D356-2653 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral Library (67538 compounds)
MCL1 Targeted Library (12200 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with D356-2653 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)