4988-0312 Screening compound: (5Z)-5-[(4-bromophenyl)methylidene]-2-(morpholin-4-yl)-4,5-dihydro-1,3-thiazol-4-one
Chemical Structure Depiction of ChemDiv screening compound 4988-0312
(5Z)-5-[(4-bromophenyl)methylidene]-2-(morpholin-4-yl)-4,5-dihydro-1,3-thiazol-4-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
4988-0312
Molecular Formula
C14H13BrN2O2S (C14 H13 BrN2 O2 S)
Compound Name
(5Z)-5-[(4-bromophenyl)methylidene]-2-(morpholin-4-yl)-4,5-dihydro-1,3-thiazol-4-one
IUPAC name
(5Z)-5-[(4-bromophenyl)methylidene]-2-(morpholin-4-yl)-45-dihydro-13-thiazol-4-one
SMILES
O=C1N=C(N2CCOCC2)S/C1=C\c(cc1)ccc1Br
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
353.24
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.873
Distribution Coefficient, logD
2.873
Water Solubility, LogSw
-3.12
Polar Surface Area
33.504
Acid Dissociation Constant (pKa)
29.10
Base Dissociation Constant (pKb)
1.69
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
4988-0312 in Drug Discovery
Included in Screening Libraries
PI3K-Targeted Library (17255 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Kinases
- Agro
References: we are preparing a list of scientific research reports with 4988-0312 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)