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NW 1028

CAT: 0931-T62148-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62148-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2749599-78-6
Target
Others, p97
Related Pathways
Others, Ubiquitination
Bioactivity
NW 1028 is a potent inhibitor of VCP/p97. NW 1028 selectively acts on the ND1L domain of p97 and inhibits the degradation of p97-dependent reporter genes. NW 1028 has a regulatory effect on the mitotic spindle.
Smiles
C(=O)([C@H]1N(C(=O)C=2C=C3C(=CC2)C(=O)NC(=S)N3)CCC1)N4[C@H](C(N)=O)CCC4
Molecular Formula
C19H21N5O4S
Molecular Weight
415.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 165412596
CAS Number2749599-78-6
PubChem CID165412596
IUPAC Name(2S)-1-[(2S)-1-(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
Molecular FormulaC19H21N5O4S
Molecular Weight415.5
XLogP0
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity759
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4)C(=O)N
InChI
InChI=1S/C19H21N5O4S/c20-15(25)13-3-1-7-23(13)18(28)14-4-2-8-24(14)17(27)10-5-6-11-12(9-10)21-19(29)22-16(11)26/h5-6,9,13-14H,1-4,7-8H2,(H2,20,25)(H2,21,22,26,29)/t13-,14-/m0/s1
InChIKey
AANQELQVUNTYHM-KBPBESRZSA-N
Chemical Structure
2D Structure
2D structure of CID 165412596
CAS: 2749599-78-6
CID: 165412596
Formula: C19H21N5O4S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass415.13142534
Monoisotopic Mass415.13142534
Topological Polar Surface Area157 Ų
Heavy Atom Count29
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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