5451-0575 Screening compound: 4,7,8-trichloro-1,3-difluoro[1,4]benzodioxino[2,3-c]pyridine
Chemical Structure Depiction of ChemDiv screening compound 5451-0575
4,7,8-trichloro-1,3-difluoro[1,4]benzodioxino[2,3-c]pyridine
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
5451-0575
Molecular Formula
C11H2Cl3F2NO2 (C11 H2 Cl3 F2 NO2)
Compound Name
4,7,8-trichloro-1,3-difluoro[1,4]benzodioxino[2,3-c]pyridine
IUPAC name
71213-trichloro-46-difluoro-29-dioxa-5-azatricyclo[8.4.0.0^{38}]tetradeca-1(14)3(8)461012-hexaene
SMILES
Fc(c1c2Oc(cc(c(Cl)c3)Cl)c3O1)nc(F)c2Cl
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.5
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
0.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.679
Distribution Coefficient, logD
5.679
Water Solubility, LogSw
-6.30
Polar Surface Area
27.505
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
-8.25
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
5451-0575 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with 5451-0575 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)