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KRAS inhibitor-36

CAT: 0931-T200470-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200470-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
332373-49-6
Target
Ras, Others, Kras
Related Pathways
Others, MAPK
Bioactivity
KRAS inhibitor-36 (compound Abd2) directly inhibits KRAS Q61H.
Smiles
O=C(NCC1OC=2C=CC=CC2OC1)C=3OC=CC3
Molecular Formula
C14H13NO4
Molecular Weight
259.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-furamide
CAS Number332373-49-6
PubChem CID2815569
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)furan-2-carboxamide
Molecular FormulaC14H13NO4
Molecular Weight259.26
XLogP2.1
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity323
SMILES
C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=CO3
InChI
InChI=1S/C14H13NO4/c16-14(13-6-3-7-17-13)15-8-10-9-18-11-4-1-2-5-12(11)19-10/h1-7,10H,8-9H2,(H,15,16)
InChIKey
IRQMQVKHNLGEFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-furamide
CAS: 332373-49-6
CID: 2815569
Formula: C14H13NO4
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass259.08445790
Monoisotopic Mass259.08445790
Topological Polar Surface Area60.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity323
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

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Alternative Products

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HY-162983KRAS inhibitor-36
GTR19274617-01KRAS G12D-IN-36
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