Products for Research Use Only
RegisterLogin

CHNQD-01255

CAT: 0931-T62151-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T62151-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2756173-91-6
Target
Others, GTPase
Related Pathways
GPCR/G Protein, Others
Bioactivity
CHNQD-01255 is an orally active inhibitor of Arf-GEFs, demonstrating effectiveness against hepatocellular carcinoma (HCC) .
Smiles
O[C@H]/1[C@]2([C@@](C[C@H](OC(OCC=3C=CC=NC3)=O)C2)(/C=C/CCC[C@H](C)OC(=O)\C=C1)[H])[H]
Molecular Formula
C23H29NO6
Molecular Weight
415.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[(1R,2R,3Z,7S,11Z,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] pyridin-3-ylmethyl carbonate
CAS Number2756173-91-6
PubChem CID168441389
IUPAC Name[(1R,2R,3Z,7S,11Z,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] pyridin-3-ylmethyl carbonate
Molecular FormulaC23H29NO6
Molecular Weight415.5
XLogP3.4
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity633
SMILES
C[C@H]1CCC/C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C\C(=O)O1)O)OC(=O)OCC3=CN=CC=C3
InChI
InChI=1S/C23H29NO6/c1-16-6-3-2-4-8-18-12-19(13-20(18)21(25)9-10-22(26)29-16)30-23(27)28-15-17-7-5-11-24-14-17/h4-5,7-11,14,16,18-21,25H,2-3,6,12-13,15H2,1H3/b8-4-,10-9-/t16-,18+,19-,20+,21+/m0/s1
InChIKey
NIVPCXURXHMJGN-XBCJQQTKSA-N
Chemical Structure
2D Structure
2D structure of [(1R,2R,3Z,7S,11Z,13S,15S)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] pyridin-3-ylmethyl carbonate
CAS: 2756173-91-6
CID: 168441389
Formula: C23H29NO6
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass415.19948764
Monoisotopic Mass415.19948764
Topological Polar Surface Area95 Ų
Heavy Atom Count30
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T201397-01KHKI-01215
T125214-01Compound NP-012255
T129927-01Compound NP-012955
T129994-01Compound NP-012554
T131652-01Compound 0449-0125

Alternative Products

CatalogName
GTR19186462-01CHNQD-01255
HY-177270CHNQD-01281
GTR19273073-01CHNQD-01269
HY-177869-01CHNQD-00824
HY-179341CHNQD-03301
HY-177268CHNQD-01426

Popular Products