Products for Research Use Only
RegisterLogin

NITD-609 Enantiomer

CAT: 0013-GTR19211790-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19211790-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NITD-609 Enantiomer
CAS Number
1193314-24-7
Purity
97.19% (May vary between batches)
Solubility
DMSO:3.91 mg/mL (10.02 mM)
Smiles
C[C@@H]1Cc2c ([nH]c3cc (Cl) c (F) cc23) [C@]2 (N1) C (=O) Nc1ccc (Cl) cc21
Molecular Formula
C19H14Cl2FN3O
Molecular Weight
390.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NITD-609 Enantiomer
CAS Number1193314-24-7
PubChem CID44251608
IUPAC Name(3S,3'R)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
Molecular FormulaC19H14Cl2FN3O
Molecular Weight390.2
XLogP3.9
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity609
SMILES
C[C@@H]1CC2=C([C@@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl
InChI
InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m1/s1
InChIKey
CKLPLPZSUQEDRT-YLVJLNSGSA-N
Chemical Structure
2D Structure
2D structure of NITD-609 Enantiomer
CAS: 1193314-24-7
CID: 44251608
Formula: C19H14Cl2FN3O
MW: 390.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.2
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass389.0497956
Monoisotopic Mass389.0497956
Topological Polar Surface Area56.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity609
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

Related Products

CatalogName
GTR19187689-01NITD-916
GTR19156378-01NITD-2
GTR19167037-01NITD-2
GTR19193343-01NITD-304
GTR19176559-01NITD-349
GTR19216054-01NITD-2
GTR19210367NITD-688
GTR19208149-01NITD-203
GTR19162175-01STO-609
GTR19172163-01STO-609

Alternative Products

CatalogName
T67880-01NITD-609 Enantiomer
BA1616-1NITD-688
BA1625-25NITD-2
BA1289-100NITD-349
MBS3602349-01NITD-916
M12348NITD-564
T71235-01NITD-203
T33683-01NITD-304

Popular Products