D165-0300 Screening compound: 2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
Chemical Structure Depiction of ChemDiv screening compound D165-0300
2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
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
D165-0300
Molecular Formula
C19H12F3N3S (C19 H12 F3 N3 S)
Compound Name
2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-benzotriazepine
IUPAC name
2-(thiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1H-135-benzotriazepine
SMILES
FC(c(cc1)ccc1C1=Nc(cccc2)c2NC(c2cccs2)=N1)(F)F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
371.39
Hydrogen Bond Acceptors Count
2.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
5.202
Distribution Coefficient, logD
5.201
Water Solubility, LogSw
-5.65
Polar Surface Area
32.493
Acid Dissociation Constant (pKa)
13.38
Base Dissociation Constant (pKb)
4.62
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
5.30
D165-0300 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Human Proteases Annotated Library (2868 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Recognition Elements PPI Library (24135 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with D165-0300 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)