SR17018

CAT: 0607-BA5640-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5640-5Size:5 mg

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

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CAS Number

2134602-45-0

Form

A solid

Molecular Formula

C19H18Cl3N3O

Molecular Weight

410.72

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Sr-17018

G-protein-biased MOP agonist

CAS Number	2134602-45-0
PubChem CID	130431397
IUPAC Name	5,6-dichloro-3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular Formula	C19H18Cl3N3O
Molecular Weight	410.7
XLogP	4.7
Topological Polar Surface Area	35.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	506

SMILES

C1CN(CCC1N2C3=CC(=C(C=C3NC2=O)Cl)Cl)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18Cl3N3O/c20-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-18-10-16(22)15(21)9-17(18)23-19(25)26/h1-4,9-10,14H,5-8,11H2,(H,23,26)

InChIKey

LAGUDYUGRSQDKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2134602-45-0

CID: 130431397

Formula: C19H18Cl3N3O

MW: 410.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.7
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	409.051545
Monoisotopic Mass	409.051545
Topological Polar Surface Area	35.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	506
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

Catalog	Name
JKD60245-01	SR17018