Products for Research Use Only
RegisterLogin

ML240

CAT: 0127-BUP07038-03Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP07038-03Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1346527-98-7
Purity
=98%
Smiles
COc1cccc2c(NCc3ccccc3)nc(nc12)-n1c(N)nc2ccccc12

Chemical Information

ML240

ML240 is a member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP). It has a role as an antineoplastic agent. It is a member of benzimidazoles, an aromatic amine, an aromatic ether, a member of quinazolines, a primary amino compound and a secondary amino compound.

CAS Number1346527-98-7
PubChem CID49830258
IUPAC Name2-(2-aminobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
Molecular FormulaC23H20N6O
Molecular Weight396.4
XLogP4.5
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity558
SMILES
COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4C5=CC=CC=C5N=C4N
InChI
InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28)
InChIKey
NHAMBLRUUJAFOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML240
CAS: 1346527-98-7
CID: 49830258
Formula: C23H20N6O
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass396.16985928
Monoisotopic Mass396.16985928
Topological Polar Surface Area90.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity558
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

Related Products

CatalogName
OR1026332ML204
BUP13027-01ML204
BUP10360-01ML241 hydrochloride
BUP20672ML204 hydrochloride

Alternative Products

CatalogName
T3535-01ML240
A20768-50ML240 50mg
A20768-500ML240 500mg
A20768-25ML240 25mg
A20768-10ML240 10mg
A20768-2ML240 2mg
A20768-5ML240 5mg
A20768-1ML240 1mg
HY-19795R-01ML240 (Standard)
A20768-100ML240 100mg

Popular Products