G071-0549 Screening compound: N~1~-(2,4-difluorophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound G071-0549
N~1~-(2,4-difluorophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
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
G071-0549
Molecular Formula
C20H16F2N4O3S2 (C20 H16 F2 N4 O3 S2)
Compound Name
N~1~-(2,4-difluorophenyl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
IUPAC name
N-(24-difluorophenyl)-2-({9-ethyl-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide
SMILES
CCN(c(cccc1)c1-c1c2cnc(SCC(Nc(ccc(F)c3)c3F)=O)n1)S2(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
462.5
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.100
Distribution Coefficient, logD
3.092
Water Solubility, LogSw
-3.57
Polar Surface Area
71.614
Acid Dissociation Constant (pKa)
9.14
Base Dissociation Constant (pKb)
-0.94
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
15.00
References: we are preparing a list of scientific research reports with G071-0549 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)