2712-0189 Screening compound: 2-bromo-4-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate
Chemical Structure Depiction of ChemDiv screening compound 2712-0189
2-bromo-4-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate
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
2712-0189
Molecular Formula
C17H16BrNO5S (C17 H16 BrNO5 S)
Compound Name
2-bromo-4-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate
IUPAC name
2-bromo-4-[N-(4-methylbenzenesulfonyl)acetamido]phenyl acetate
SMILES
CC(N(c(cc1)cc(Br)c1OC(C)=O)S(c1ccc(C)cc1)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
426.29
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.299
Distribution Coefficient, logD
3.299
Water Solubility, LogSw
-3.71
Polar Surface Area
67.123
Acid Dissociation Constant (pKa)
20.77
Base Dissociation Constant (pKb)
-13.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
References: we are preparing a list of scientific research reports with 2712-0189 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)