Vacuolin-1

CAT: 1596-AR-V06182-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06182-02Size:25 Units

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CAS Number

351986-85-1

Molecular Formula

C26H24IN7O

Molecular Weight

577.43

API Name

Vacuolin

Chemical Information

Vacuolin-1

inhibits Ca2-dependent lysosomal exocytosis

CAS Number	351986-85-1
PubChem CID	9661141
IUPAC Name	2-N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
Molecular Formula	C26H24IN7O
Molecular Weight	577.4
XLogP	6.2
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	634

SMILES

C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC(=CC=C3)I)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24IN7O/c27-21-9-7-8-20(18-21)19-28-32-24-29-25(33-14-16-35-17-15-33)31-26(30-24)34(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18-19H,14-17H2,(H,29,30,31,32)/b28-19+

InChIKey

JMEJTSRAQUFNOP-TURZUDJPSA-N

Chemical Structure

2D Structure

CAS: 351986-85-1

CID: 9661141

Formula: C26H24IN7O

MW: 577.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	577.4
XLogP3	6.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	577.10871
Monoisotopic Mass	577.10871
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	634
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-118630-01	Vacuolin-1
A22213-5	Vacuolin-1 5mg
A22213-100	Vacuolin-1 100mg
A22213-50	Vacuolin-1 50mg
A22213-1	Vacuolin-1 1mg
A22213-25	Vacuolin-1 25mg
A22213-10	Vacuolin-1 10mg

Vacuolin-1

Chemical Information

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