KPT-276

CAT: 0957-S7251-02Size: 50 mgDry Ice: YesHazardous: No

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CAT#:0957-S7251-02Size:50 mg

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

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Description

KPT-276 is an orally bioavailable selective CRM1 inhibitor.

CAS Number

1421919-75-6

Target

CRM1

Activity

Transmembrane Transporters

Molecular Formula

C16H10F8N4O

Storage Conditions

2 years -80 in solvent

Chemical Information

(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one

KPT-276 is an organic molecular entity. It has a role as an exportin 1 inhibitor.

CAS Number	1421919-75-6
PubChem CID	71496742
IUPAC Name	(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one
Molecular Formula	C16H10F8N4O
Molecular Weight	426.26
XLogP	3.6
Topological Polar Surface Area	51
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	620

SMILES

C1C(CN1C(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F

InChI

InChI=1S/C16H10F8N4O/c17-14(18)6-27(7-14)12(29)1-2-28-8-25-13(26-28)9-3-10(15(19,20)21)5-11(4-9)16(22,23)24/h1-5,8H,6-7H2/b2-1-

InChIKey

JCHAWRDHMUSLMM-UPHRSURJSA-N

Chemical Structure

2D Structure

CAS: 1421919-75-6

CID: 71496742

Formula: C16H10F8N4O

MW: 426.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.26
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	426.07268625
Monoisotopic Mass	426.07268625
Topological Polar Surface Area	51 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	620
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