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TNIK modulator-1

CAT: 0013-GTR19274703-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274703-01Size:10 mg
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Description
TNIK modulator-1 (example 12) is a modulator of TNIK.
CAS Number
945119-78-8
Smiles
O=C (N) C=1N=C (SC1NC (=O) C2=CC=C (OC) C=C2) NC=3C=CC=CC3
Molecular Formula
C18H16N4O3S
Molecular Weight
368.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(4-Methoxyphenyl)carbonylamino]-2-(phenylamino)-1,3-thiazole-4-carboxamide
CAS Number945119-78-8
PubChem CID17250842
IUPAC Name2-anilino-5-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
Molecular FormulaC18H16N4O3S
Molecular Weight368.4
XLogP3.7
Topological Polar Surface Area135
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity493
SMILES
COC1=CC=C(C=C1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C18H16N4O3S/c1-25-13-9-7-11(8-10-13)16(24)22-17-14(15(19)23)21-18(26-17)20-12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,23)(H,20,21)(H,22,24)
InChIKey
CGFNTHSTIRJUDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[(4-Methoxyphenyl)carbonylamino]-2-(phenylamino)-1,3-thiazole-4-carboxamide
CAS: 945119-78-8
CID: 17250842
Formula: C18H16N4O3S
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass368.09431156
Monoisotopic Mass368.09431156
Topological Polar Surface Area135 Ų
Heavy Atom Count26
Formal Charge0
Complexity493
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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Alternative Products

CatalogName
T26282-01TNIK-IN-1
T79794-01TNIK&MAP4K4-IN-1
sc-377215TNIK (C-1)
sc-377215 ACTNIK (C-1) AC
sc-377215 FITCTNIK (C-1) FITC
sc-377215 PETNIK (C-1) PE
sc-377215 HRPTNIK (C-1) HRP
sc-377215 AF546TNIK (C-1) Alexa Fluor® 546
sc-377215 AF790TNIK (C-1) Alexa Fluor® 790
sc-377215 AF647TNIK (C-1) Alexa Fluor® 647

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