Products for Research Use Only
RegisterLogin

Autotaxin-in-1

CAT: 0926-UPC97130-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-UPC97130-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1619971-30-0
Smiles
C1C (CC2=CC=CC=C21) NC3=NC=C4CN (CC4=N3) C (=O) COCCC5=NNN=C5
Molecular Formula
C21H23N7O2
Molecular Weight
405.5 g/mol
Controlled
No

Chemical Information

Autotaxin-IN-1
CAS Number1619971-30-0
PubChem CID76285327
IUPAC Name1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]ethanone
Molecular FormulaC21H23N7O2
Molecular Weight405.5
XLogP1
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity580
SMILES
C1C(CC2=CC=CC=C21)NC3=NC=C4CN(CC4=N3)C(=O)COCCC5=NNN=C5
InChI
InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27)
InChIKey
ILOFWCAZDNILKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Autotaxin-IN-1
CAS: 1619971-30-0
CID: 76285327
Formula: C21H23N7O2
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass405.19132300
Monoisotopic Mass405.19132300
Topological Polar Surface Area109 Ų
Heavy Atom Count30
Formal Charge0
Complexity580
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
OF59775-011,1,1,1,1-Kestoheptaose
OK59466-011,1,1,1-Kestohexose
DFA88480-011-Bromobicyclo[1.1.1]pentane
IFA69273-011-Iodobicyclo[1.1.1]pentane
AAA918001,1,1-Trichloroacetone
FT77421-011,1,1-Trifluorobutane
OK32473-011,1,1-Kestopentaose
FT78177-011,1,1-Trifluoronitroethane
QEA91330-011,1'- (Bicyclo[1.1.1]pentane-1,3-diyl) diethanone
FB33678-011,1'-Bicyclo[1,1,1]pentane-1,3-dicarboxylic acid

Alternative Products

CatalogName
T14352-01Autotaxin-IN-1
HY-12812-01Autotaxin modulator 1
A19164-25Autotaxin-IN-1 25mg
A19164-50Autotaxin-IN-1 50mg
A19164-5Autotaxin-IN-1 5mg
A19164-10Autotaxin-IN-1 10mg
A19164-100Autotaxin-IN-1 100mg
A19164-1Autotaxin-IN-1 1mg
314346-01Autotaxin
MBS3602375-01Autotaxin inhibitor compound 1

Popular Products