OD36

CAT: 1568-C01835-04Size: 1 gDry Ice: NoHazardous: No

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CAT#:1568-C01835-04Size:1 g

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CAS Number

1638644-62-8

SKU

C01835-5mg

Target

RIP kinase

Applications

Apoptosis

Additionnal Information

OD36 is an inhibitor of RIPK2 with an IC50 value of 5.3 nM. OD36 is a macrocyclic inhibitor with potent binding to the ALK2 kinase ATP pocket.

Chemical Information

6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine

CAS Number	1638644-62-8
PubChem CID	135567262
IUPAC Name	4-chloro-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Molecular Formula	C16H15ClN4O2
Molecular Weight	330.77
XLogP	2.5
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	402

SMILES

C1COCCOC2=CC(=CC(=C2)C3=C4N=C(N1)C=CN4N=C3)Cl

InChI

InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20)

InChIKey

KTSDBMVHAKWDRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1638644-62-8

CID: 135567262

Formula: C16H15ClN4O2

MW: 330.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	330.77
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	330.0883534
Monoisotopic Mass	330.0883534
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	402
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