3269-0187 Screening compound: (5E)-5-[(4-bromophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of ChemDiv screening compound 3269-0187
(5E)-5-[(4-bromophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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
3269-0187
Molecular Formula
C17H11BrN2O2S (C17 H11 BrN2 O2 S)
Compound Name
(5E)-5-[(4-bromophenyl)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC name
(5E)-5-[(4-bromophenyl)methylidene]-1-phenyl-2-sulfanylidene-13-diazinane-46-dione
SMILES
O=C(/C(/C(N1c2ccccc2)=O)=C\c(cc2)ccc2Br)NC1=S
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
387.26
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.529
Distribution Coefficient, logD
3.154
Water Solubility, LogSw
-3.81
Polar Surface Area
40.228
Acid Dissociation Constant (pKa)
7.26
Base Dissociation Constant (pKb)
-8.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
References: we are preparing a list of scientific research reports with 3269-0187 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)