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NU6102

CAT: 0013-GTR19196898-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196898-01Size:1 mg
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Description
NU6102
CAS Number
444722-95-6
Product Name Alternative
CDK2, NU6102, NU-6102, NU 6102
Field of Research
Cell Biology
Purity
99.58% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.97 mM) ; DMSO:40 mg/mL (99.39 mM)
Smiles
NS (=O) (=O) c1ccc (Nc2nc (OCC3CCCCC3) c3nc[nH]c3n2) cc1
Molecular Formula
C18H22N6O3S
Molecular Weight
402.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CAS Number444722-95-6
PubChem CID4566
IUPAC Name4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide
Molecular FormulaC18H22N6O3S
Molecular Weight402.5
XLogP3.2
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity601
SMILES
C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKey
OWXORKPNCHJYOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O6-Cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine
CAS: 444722-95-6
CID: 4566
Formula: C18H22N6O3S
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass402.14740976
Monoisotopic Mass402.14740976
Topological Polar Surface Area144 Ų
Heavy Atom Count28
Formal Charge0
Complexity601
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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MBS6110117-01NU6102 (O6-Cyclohexylmethyl-2-(4-sulfamoylanilino)purine)
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