0258-0061 Screening compound: 4-bromophenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
Chemical Structure Depiction of ChemDiv screening compound 0258-0061
4-bromophenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
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
0258-0061
Molecular Formula
C16H13BrO3 (C16 H13 BrO3)
Compound Name
4-bromophenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
IUPAC name
4-bromophenyl (2E)-3-(4-methoxyphenyl)prop-2-enoate
SMILES
COc1ccc(/C=C/C(Oc(cc2)ccc2Br)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
333.18
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.714
Distribution Coefficient, logD
4.714
Water Solubility, LogSw
-4.62
Polar Surface Area
27.565
Acid Dissociation Constant (pKa)
33.29
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
6.30
0258-0061 in Drug Discovery
Included in Screening Libraries
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 0258-0061 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)