C270-0088 Screening compound: 3-(6-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]thiourea
Chemical Structure Depiction of ChemDiv screening compound C270-0088
3-(6-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]thiourea
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
C270-0088
Molecular Formula
C14H12F3N3S (C14 H12 F3 N3 S)
Compound Name
3-(6-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]thiourea
IUPAC name
3-(6-methylpyridin-2-yl)-1-[3-(trifluoromethyl)phenyl]thiourea
SMILES
Cc1cccc(NC(Nc2cc(C(F)(F)F)ccc2)=S)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
311.33
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
4.626
Distribution Coefficient, logD
4.440
Water Solubility, LogSw
-4.48
Polar Surface Area
28.050
Acid Dissociation Constant (pKa)
12.73
Base Dissociation Constant (pKb)
7.13
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
C270-0088 in Drug Discovery
Included in Screening Libraries
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Agro
References: we are preparing a list of scientific research reports with C270-0088 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)