FLA-99

CAT: 0127-BUP22972-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22972-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

146931-12-6

Synonyms

FLA99

Purity

≥95%

Smiles

C (SSC (=S) N1CCC (C (O) =O) CC1) (=S) N2CCC (C (O) =O) CC2

Chemical Information

Fla 99

inhibits breakdown of inositol-1,4,5-triphosphate by inositol-1,4,5-triphosphate 5-phosphatase; structure given in first source

CAS Number	146931-12-6
PubChem CID	10431604
IUPAC Name	1-[(4-carboxypiperidine-1-carbothioyl)disulfanyl]carbothioylpiperidine-4-carboxylic acid
Molecular Formula	C14H20N2O4S4
Molecular Weight	408.6
XLogP	1.7
Topological Polar Surface Area	196
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	469

SMILES

C1CN(CCC1C(=O)O)C(=S)SSC(=S)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H20N2O4S4/c17-11(18)9-1-5-15(6-2-9)13(21)23-24-14(22)16-7-3-10(4-8-16)12(19)20/h9-10H,1-8H2,(H,17,18)(H,19,20)

InChIKey

YSPRXHVWQJWIQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146931-12-6

CID: 10431604

Formula: C14H20N2O4S4

MW: 408.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.6
XLogP3	1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	408.03059182
Monoisotopic Mass	408.03059182
Topological Polar Surface Area	196 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	469
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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