MDVN1003

CAT: 0013-GTR19153945-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19153945-01Size:100 mg

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

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Description

MDVN1003 is a potent inhibitor of BTK amd PI3K delta.

CAS Number

2058116-52-0

Purity

>98%

Smiles

FC1C2=C (C ([H]) =C (C=1[H]) C1C3=C (N ([H]) [H]) N=C ([H]) N=C3N (C3 ([H]) C ([H]) ([H]) C4C ([H]) =C ([H]) C (=C ([H]) C=4C3 ([H]) [H]) N ([H]) [H]) N=1) N ([H]) C ([H]) ([H]) C ([H]) ([H]) O2

Molecular Formula

C22H20FN7O

Molecular Weight

417.4389

Notes

For research use only.

Chemical Information

1-(5-amino-2,3-dihydro-1H-inden-2-yl)-3-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine

CAS Number	2058116-52-0
PubChem CID	129896911
IUPAC Name	1-(5-amino-2,3-dihydro-1H-inden-2-yl)-3-(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Formula	C22H20FN7O
Molecular Weight	417.4
XLogP	2.6
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Heavy Atom Count	31
Formal Charge	0
Complexity	657

SMILES

C1COC2=C(N1)C=C(C=C2F)C3=NN(C4=NC=NC(=C34)N)C5CC6=C(C5)C=C(C=C6)N

InChI

InChI=1S/C22H20FN7O/c23-16-8-13(9-17-20(16)31-4-3-26-17)19-18-21(25)27-10-28-22(18)30(29-19)15-6-11-1-2-14(24)5-12(11)7-15/h1-2,5,8-10,15,26H,3-4,6-7,24H2,(H2,25,27,28)

InChIKey

ULJLSBKQZMEISX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2058116-52-0

CID: 129896911

Formula: C22H20FN7O

MW: 417.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	417.4
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	417.17133645
Monoisotopic Mass	417.17133645
Topological Polar Surface Area	117 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	657
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
IHD11652-01	MDVN1003

MDVN1003

Chemical Information

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