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Complement factor D-IN-2

CAT: 0013-GTR19170766-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170766-01Size:1 mg
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Description
Complement factor D-IN-2
CAS Number
1903742-34-6
Product Name Alternative
Inhibit, Inhibitor, factor, factor D, autoimmune, complement, Complement factor D IN 2, Complement factor DIN2, Complement factor D-IN-2, ComplementSystem, Complement System, diseases
Field of Research
Immunology & Inflammation
Purity
99.51% (May vary between batches)
Solubility
DMSO:70 mg/mL (121.86 mM)
Smiles
[H][C@]12C[C@@]1 ([H]) N ([C@@H] (C2) C (=O) Nc1cccc (Br) n1) C (=O) Cn1nc (C (C) =O) c2cc (ccc12) -c1cnc (C) nc1
Molecular Formula
C27H24BrN7O3
Molecular Weight
574.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Complement factor D-IN-2
CAS Number1903742-34-6
PubChem CID118323545
IUPAC Name(1R,3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
Molecular FormulaC27H24BrN7O3
Molecular Weight574.4
XLogP3.3
Topological Polar Surface Area123
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity930
SMILES
CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H]5C[C@@H]5C[C@H]4C(=O)NC6=NC(=CC=C6)Br
InChI
InChI=1S/C27H24BrN7O3/c1-14(36)26-19-8-16(18-11-29-15(2)30-12-18)6-7-20(19)34(33-26)13-25(37)35-21-9-17(21)10-22(35)27(38)32-24-5-3-4-23(28)31-24/h3-8,11-12,17,21-22H,9-10,13H2,1-2H3,(H,31,32,38)/t17-,21-,22+/m1/s1
InChIKey
JLRVDNFYMDBUJT-YHYVQYDKSA-N
Chemical Structure
2D Structure
2D structure of Complement factor D-IN-2
CAS: 1903742-34-6
CID: 118323545
Formula: C27H24BrN7O3
MW: 574.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass573.11240
Monoisotopic Mass573.11240
Topological Polar Surface Area123 Ų
Heavy Atom Count38
Formal Charge0
Complexity930
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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