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VPC-70063

CAT: 0013-GTR19216094-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216094-03Size:1 g
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Description
VPC-70063 is a Myc-Max inhibitor. VPC-70067 is a close analog of the previously identified Myc inhibitor 10058-F4. VPC-70063, of a chemically different scaffold, was the best performer in a panel of in vitro assays, and the forerunner for future hit-to-lead optimization efforts.
CAS Number
13571-44-3
Purity
>98%
Smiles
N (C1C=C (C (F) (F) F) C=C (C (F) (F) F) C=1) C (=S) NCC1C=CC=CC=1
Molecular Formula
C16H12N2F6S
Molecular Weight
378.335
Notes
For research use only.

Chemical Information

1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CAS Number13571-44-3
PubChem CID4142933
IUPAC Name1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
Molecular FormulaC16H12F6N2S
Molecular Weight378.3
XLogP4.8
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity423
SMILES
C1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H12F6N2S/c17-15(18,19)11-6-12(16(20,21)22)8-13(7-11)24-14(25)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,23,24,25)
InChIKey
PIQMVCPITQIXGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CAS: 13571-44-3
CID: 4142933
Formula: C16H12F6N2S
MW: 378.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.3
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass378.06253854
Monoisotopic Mass378.06253854
Topological Polar Surface Area56.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity423
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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