8006-4350 Screening compound: methyl (2Z)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 8006-4350
methyl (2Z)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
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
8006-4350
Molecular Formula
C23H13Br2F2N3O3S (C23 H13 Br2 F2 N3 O3 S)
Compound Name
methyl (2Z)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate
IUPAC name
methyl (2Z)-5-amino-7-(5-bromo-2-fluorophenyl)-2-[(5-bromo-2-fluorophenyl)methylidene]-8-cyano-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridine-6-carboxylate
SMILES
COC(C(C1c(cc(cc2)Br)c2F)=C(N)N(C(/C(/S2)=C/c(cc(cc3)Br)c3F)=O)C2=C1C#N)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
609.25
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.679
Distribution Coefficient, logD
5.679
Water Solubility, LogSw
-5.54
Polar Surface Area
74.520
Acid Dissociation Constant (pKa)
11.51
Base Dissociation Constant (pKb)
-6.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
8.70
References: we are preparing a list of scientific research reports with 8006-4350 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)