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Factor B-IN-3

CAT: 0931-T62276-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T62276-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2760669-74-5
Target
Others, Complement System
Related Pathways
Immunology/Inflammation, Others
Bioactivity
Factor B-IN-3 is a potent inhibitor of complement factor B. Factor B-IN-3 can be used to study inflammatory and immune-related diseases.
Smiles
C(C1=C2C(=C(C)N=C1OC)NC=C2)N3[C@@H](C[C@@H](OCC)CC3)C4=CC=C(C(O)=O)C=C4
Molecular Formula
C24H29N3O4
Molecular Weight
423.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Factor B-IN-3
CAS Number2760669-74-5
PubChem CID164517044
IUPAC Name4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)methyl]piperidin-2-yl]benzoic acid
Molecular FormulaC24H29N3O4
Molecular Weight423.5
XLogP1.1
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity597
SMILES
CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C4C=CNC4=C(N=C3OC)C
InChI
InChI=1S/C24H29N3O4/c1-4-31-18-10-12-27(21(13-18)16-5-7-17(8-6-16)24(28)29)14-20-19-9-11-25-22(19)15(2)26-23(20)30-3/h5-9,11,18,21,25H,4,10,12-14H2,1-3H3,(H,28,29)/t18-,21-/m0/s1
InChIKey
GYFFCZWVOVLIPZ-RXVVDRJESA-N
Chemical Structure
2D Structure
2D structure of Factor B-IN-3
CAS: 2760669-74-5
CID: 164517044
Formula: C24H29N3O4
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass423.21580641
Monoisotopic Mass423.21580641
Topological Polar Surface Area87.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity597
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

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Alternative Products

CatalogName
MBS5804964Factor B-IN-3
sc-47681Factor B (D22/3)
sc-377187Factor IX (B-3)
sc-377187 HRPFactor IX (B-3) HRP
sc-377187 PFactor IX (B-3) P
sc-377187 ACFactor IX (B-3) AC
sc-377187 PEFactor IX (B-3) PE
314286Early B-cell factor 3
sc-377187 FITCFactor IX (B-3) FITC
sc-47681 FITCFactor B (D22/3) FITC

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