8004-4316 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate
Chemical Structure Depiction of ChemDiv screening compound 8004-4316
2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate
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
8004-4316
Molecular Formula
C25H20Br2FN3O6 (C25 H20 Br2 FN3 O6)
Compound Name
2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate
IUPAC name
24-dibromo-6-[(E)-({2-[(34-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate
SMILES
COc(ccc(C(NCC(N/N=C/c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O)=O)=O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
637.26
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
5.188
Distribution Coefficient, logD
5.172
Water Solubility, LogSw
-5.21
Polar Surface Area
95.838
Acid Dissociation Constant (pKa)
8.82
Base Dissociation Constant (pKb)
-2.96
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
12.00
References: we are preparing a list of scientific research reports with 8004-4316 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)