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NTP42

CAT: 0013-GTR19155561-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155561-03Size:1 g
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Description
NTP42 is an antagonist of thromboxane A2 (TXA2) receptor (IC50 of 3.278 nM) .
CAS Number
2055599-51-2
Purity
>98% (HPLC)
Solubility
DMSO:30mg/mL (58.19 mM; Need ultrasonic)
Smiles
CC (C) (C) NC (NS (c (cc (cc1) C#N) c1Oc1cc (-c (cc2) ccc2OC (F) F) ccc1) (=O) =O) =O
Molecular Formula
C25H23F2N3O5S
Molecular Weight
515.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ntp-42
CAS Number2055599-51-2
PubChem CID124147085
IUPAC Name1-tert-butyl-3-[5-cyano-2-[3-[4-(difluoromethoxy)phenyl]phenoxy]phenyl]sulfonylurea
Molecular FormulaC25H23F2N3O5S
Molecular Weight515.5
XLogP5.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity888
SMILES
CC(C)(C)NC(=O)NS(=O)(=O)C1=C(C=CC(=C1)C#N)OC2=CC=CC(=C2)C3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)
InChIKey
RIIKDGPBTPECSW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ntp-42
CAS: 2055599-51-2
CID: 124147085
Formula: C25H23F2N3O5S
MW: 515.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.5
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass515.13264834
Monoisotopic Mass515.13264834
Topological Polar Surface Area126 Ų
Heavy Atom Count36
Formal Charge0
Complexity888
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

Alternative Products

CatalogName
BUP04004-01NTP42

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