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CSF1R-IN-3

CAT: 0607-BA8855-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8855-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2760584-90-3
Form
A solid
Molecular Formula
C30H38N8O4
Molecular Weight
574.67
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Csf1R-IN-3
CAS Number2760584-90-3
PubChem CID162719835
IUPAC NameN-[5-[(Z)-[6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
Molecular FormulaC30H38N8O4
Molecular Weight574.7
XLogP2.6
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1040
SMILES
CC1=C(NC(=C1NC(=O)CN2CCN(CC2)C)C)/C=C\3/C4=C(C=C(C=C4)NC(=O)NC5=NOC(=C5)C(C)(C)C)NC3=O
InChI
InChI=1S/C30H38N8O4/c1-17-22(31-18(2)27(17)35-26(39)16-38-11-9-37(6)10-12-38)14-21-20-8-7-19(13-23(20)33-28(21)40)32-29(41)34-25-15-24(42-36-25)30(3,4)5/h7-8,13-15,31H,9-12,16H2,1-6H3,(H,33,40)(H,35,39)(H2,32,34,36,41)/b21-14-
InChIKey
YLKFFTVAKILRBN-STZFKDTASA-N
Chemical Structure
2D Structure
2D structure of Csf1R-IN-3
CAS: 2760584-90-3
CID: 162719835
Formula: C30H38N8O4
MW: 574.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.7
XLogP32.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass574.30160172
Monoisotopic Mass574.30160172
Topological Polar Surface Area148 Ų
Heavy Atom Count42
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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