0319-0003 Screening compound: 3,3-dimethyl-1-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}urea
Chemical Structure Depiction of ChemDiv screening compound 0319-0003
3,3-dimethyl-1-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}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
0319-0003
Molecular Formula
C12H16Cl3N3O (C12 H16 Cl3 N3 O)
Compound Name
3,3-dimethyl-1-{2,2,2-trichloro-1-[(3-methylphenyl)amino]ethyl}urea
IUPAC name
33-dimethyl-1-{222-trichloro-1-[(3-methylphenyl)amino]ethyl}urea
SMILES
Cc1cccc(NC(C(Cl)(Cl)Cl)NC(N(C)C)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
324.64
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
3.049
Distribution Coefficient, logD
3.045
Water Solubility, LogSw
-3.47
Polar Surface Area
35.180
Acid Dissociation Constant (pKa)
9.46
Base Dissociation Constant (pKb)
-0.85
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.70
References: we are preparing a list of scientific research reports with 0319-0003 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)