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Rac-NBI-74330

CAT: 0013-GTR19198675-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198675-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rac-NBI-74330
CAS Number
473722-68-8
Product Name Alternative
RacNBI 74330, rac-NBI 74330, racNBI74330, rac-NBI74330, rac-NBI-74330, racNBI-74330, rac NBI 74330, rac NBI74330, rac NBI-74330, CXCR3
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Purity
97.85% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:2.5 mg/mL (4.13 mM) ; DMSO:50 mg/mL (82.57 mM)
Smiles
C (N (CC=1C=CC=NC1) C (CC2=CC (C (F) (F) F) =C (F) C=C2) =O) (C) C=3N (C (=O) C=4C (N3) =NC=CC4) C5=CC=C (OCC) C=C5
Molecular Formula
C32H27F4N5O3
Molecular Weight
605.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

rac-NBI-74330
CAS Number473722-68-8
PubChem CID10167713
IUPAC NameN-[1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
Molecular FormulaC32H27F4N5O3
Molecular Weight605.6
XLogP5
Topological Polar Surface Area88
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1020
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC(=C(C=C5)F)C(F)(F)F
InChI
InChI=1S/C32H27F4N5O3/c1-3-44-24-11-9-23(10-12-24)41-30(39-29-25(31(41)43)7-5-15-38-29)20(2)40(19-22-6-4-14-37-18-22)28(42)17-21-8-13-27(33)26(16-21)32(34,35)36/h4-16,18,20H,3,17,19H2,1-2H3
InChIKey
XMRGQUDUVGRCBS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of rac-NBI-74330
CAS: 473722-68-8
CID: 10167713
Formula: C32H27F4N5O3
MW: 605.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.6
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass605.20500239
Monoisotopic Mass605.20500239
Topological Polar Surface Area88 Ų
Heavy Atom Count44
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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