Products for Research Use Only
RegisterLogin

NB-598 Maleate

CAT: 0607-A3647-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A3647-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Squalene epoxidase inhibitor
CAS Number
155294-62-5
Product Name Alternative
(Z)-but-2-enedioic acid;(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Sequence
NB598 Maleate;NB 598 Maleate
Field of Research
Others Squalene epoxidase
Purity
0.9897
Form
A solid
Solubility
≥16.5 mg/mL in DMSO
Smiles
CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3.C(=CC(=O)O)C(=O)O
Molecular Formula
C31H35NO5S2
Molecular Weight
565.74
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

NB-598 (Maleate)
CAS Number155294-62-5
PubChem CID71576679
IUPAC Name(Z)-but-2-enedioic acid;(E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
Molecular FormulaC31H35NO5S2
Molecular Weight565.7
Topological Polar Surface Area144
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity747
SMILES
CCN(C/C=C/C#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C27H31NOS2.C4H4O4/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23;5-3(6)1-2-4(7)8/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b8-6+;2-1-
InChIKey
QGUWPAYJKVJWEK-JVTXGDFZSA-N
Chemical Structure
2D Structure
2D structure of NB-598 (Maleate)
CAS: 155294-62-5
CID: 71576679
Formula: C31H35NO5S2
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass565.19566556
Monoisotopic Mass565.19566556
Topological Polar Surface Area144 Ų
Heavy Atom Count39
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
A3645-200NB-598
A3645-5NB-598
A3645-10NB-598
A3645-50NB-598
A3646-10NB-598 hydrochloride
A3646-5NB-598 hydrochloride
A3646-200NB-598 hydrochloride
A3646-50NB-598 hydrochloride
B6081-1BAY-598
B6081-5BAY-598

Alternative Products

CatalogName
MBS385783-01NB-598 Maleate
HY-16343C-01NB-598 (Maleate)
MBS5757529-01NB-598 Maleate salt
A15180-25NB-598 Maleate 25mg
A15180-100NB-598 Maleate 100mg
A15180-50NB-598 Maleate 50mg
A15180-10NB-598 Maleate 10mg
A15180-5NB-598 Maleate 5mg
A15180-2NB-598 Maleate 2mg
HY-16343-01NB-598

Popular Products