D003-1055 Screening compound: 3-(1,2,3-BENZOTHIADIAZOL-5-YL)-1-[4-(PROPAN-2-YL)PHENYL]UREA
Chemical Structure Depiction of ChemDiv screening compound D003-1055
3-(1,2,3-BENZOTHIADIAZOL-5-YL)-1-[4-(PROPAN-2-YL)PHENYL]UREA
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
D003-1055
Molecular Formula
C16H16N4OS (C16 H16 N4 OS)
Compound Name
3-(1,2,3-BENZOTHIADIAZOL-5-YL)-1-[4-(PROPAN-2-YL)PHENYL]UREA
IUPAC name
3-(123-benzothiadiazol-5-yl)-1-[4-(propan-2-yl)phenyl]urea
SMILES
CC(C)c(cc1)ccc1NC(Nc(cc1)cc2c1snn2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
312.4
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.005
Distribution Coefficient, logD
5.004
Water Solubility, LogSw
-4.65
Polar Surface Area
54.123
Acid Dissociation Constant (pKa)
11.18
Base Dissociation Constant (pKb)
-1.61
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
18.75
D003-1055 in Drug Discovery
Included in Screening Libraries
Antibacterial Compounds Library (13827 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with D003-1055 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)