K076-0695 Screening compound: (4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one
Chemical Structure Depiction of ChemDiv screening compound K076-0695
(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one
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
K076-0695
Molecular Formula
C17H11Br2NO3 (C17 H11 Br2 NO3)
Compound Name
(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-5-one
IUPAC name
(4Z)-4-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-bromophenyl)-45-dihydro-13-oxazol-5-one
SMILES
COc(cc1)c(/C=C2\N=C(c(cc3)ccc3Br)OC2=O)cc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
437.09
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
5.051
Distribution Coefficient, logD
5.051
Water Solubility, LogSw
-4.93
Polar Surface Area
38.006
Acid Dissociation Constant (pKa)
32.90
Base Dissociation Constant (pKb)
-0.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.90
References: we are preparing a list of scientific research reports with K076-0695 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)