Products for Research Use Only
RegisterLogin

ITK Inhibitor 100mg

CAT: 0628-A11450-100Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A11450-100Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
439574-61-5

Chemical Information

ITK inhibitor

N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3-methylbutan-2-ylamino)methyl]benzamide is a member of benzamides.

CAS Number439574-61-5
PubChem CID20635522
IUPAC NameN-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3-methylbutan-2-ylamino)methyl]benzamide
Molecular FormulaC31H39N5O4S2
Molecular Weight609.8
XLogP4.7
Topological Polar Surface Area157
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity910
SMILES
CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
InChI
InChI=1S/C31H39N5O4S2/c1-19(2)21(4)32-17-23-7-9-24(10-8-23)29(38)34-31-33-18-28(42-31)41-27-16-25(26(40-6)15-20(27)3)30(39)36-13-11-35(12-14-36)22(5)37/h7-10,15-16,18-19,21,32H,11-14,17H2,1-6H3,(H,33,34,38)
InChIKey
RRHONYZEMUNMJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ITK inhibitor
CAS: 439574-61-5
CID: 20635522
Formula: C31H39N5O4S2
MW: 609.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.8
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass609.24434709
Monoisotopic Mass609.24434709
Topological Polar Surface Area157 Ų
Heavy Atom Count42
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A19096-100ITK inhibitor 2 100mg
A11450-50ITK Inhibitor 50mg
A11450-5ITK Inhibitor 5mg
A11450-25ITK Inhibitor 25mg
A11450-10ITK Inhibitor 10mg
A19096-50ITK inhibitor 2 50mg
A19096-25ITK inhibitor 2 25mg
A19096-10ITK inhibitor 2 10mg
A19096-5ITK inhibitor 2 5mg
A19096-1ITK inhibitor 2 1mg

Alternative Products

CatalogName
IPLTSTIAFPFLY100MGPlant-Derived Soybean Trypsin Inhibitor Purified Animal Free Lyophilized 100mg
IPLTLBTIAFLY100MGPlant-Derived Lima Bean Trypsin Inhibitor Animal Free Lyophilized 100mg
TE-200Thymalin 100mg +Epithalon 100mg
1050-100mgDAPI, 100mg
PPCBRPC030L100GA100mg/3mL
R5986-100mgCyclosporin A, 100mg
R5312-100mgRapamycin, 100mg
1089-100mgActinomycin D, 100mg
1092-100mgDiBr-PAESA, 100mg
PC0712-100mgProteinase K, 100mg

Popular Products