Products for Research Use Only

FD-IN-1

CAT: 0013-GTR19205888-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205888-01Size:5 mg
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Description
FD-IN-1 (Compound 12) is a potent, orally bioavailable small molecule inhibitor of Factor D (IC50=12 nM) . It also shows activity against Factor XIa and Tryptase β2. This compound is a valuable research tool for studying the complement system, coagulation, and inflammatory processes in both in vitro and in vivo models.
CAS Number
1646682-14-5
Product Name Alternative
FDIN1, FD-IN-1, FD IN 1
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research
Purity
98.85% (May vary between batches)
Solubility
DMSO:48 mg/mL (127.18 mM)
Smiles
C (OC1=C (CC (O) =O) C=CC=C1) C=2C=C (C=CC2) C3=CC ([C@@H] (CO) N) =CC=C3
Molecular Formula
C23H23NO4
Molecular Weight
377.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
CAS Number1646682-14-5
PubChem CID117819668
IUPAC Name2-[2-[[3-[3-[(1S)-1-amino-2-hydroxyethyl]phenyl]phenyl]methoxy]phenyl]acetic acid
Molecular FormulaC23H23NO4
Molecular Weight377.4
XLogP-0.4
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity485
SMILES
C1=CC=C(C(=C1)CC(=O)O)OCC2=CC(=CC=C2)C3=CC(=CC=C3)[C@@H](CO)N
InChI
InChI=1S/C23H23NO4/c24-21(14-25)19-9-4-8-18(12-19)17-7-3-5-16(11-17)15-28-22-10-2-1-6-20(22)13-23(26)27/h1-12,21,25H,13-15,24H2,(H,26,27)/t21-/m1/s1
InChIKey
XHLXBWRISOPXQB-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[[3-[3-[(1~{S})-1-azanyl-2-oxidanyl-ethyl]phenyl]phenyl]methoxy]phenyl]ethanoic acid
CAS: 1646682-14-5
CID: 117819668
Formula: C23H23NO4
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass377.16270821
Monoisotopic Mass377.16270821
Topological Polar Surface Area92.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes