Grp94 Inhibitor-1

CAT: 0127-BUP06293-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06293-01Size:5 mg

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CAS Number

2234897-35-7

Purity

=95%

Smiles

CC(C)c1ccc(cc1)-c1ccc(N[C@H]2CC[C@H](O)CC2)c(c1)C(N)=O

Chemical Information

Grp94 Inhibitor-1

CAS Number	2234897-35-7
PubChem CID	137321151
IUPAC Name	2-[(4-hydroxycyclohexyl)amino]-5-(4-propan-2-ylphenyl)benzamide
Molecular Formula	C22H28N2O2
Molecular Weight	352.5
XLogP	4.7
Topological Polar Surface Area	75.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	451

SMILES

CC(C)C1=CC=C(C=C1)C2=CC(=C(C=C2)NC3CCC(CC3)O)C(=O)N

InChI

InChI=1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)

InChIKey

JMGDXIHGWTVBMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2234897-35-7

CID: 137321151

Formula: C22H28N2O2

MW: 352.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.5
XLogP3	4.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	352.215078140
Monoisotopic Mass	352.215078140
Topological Polar Surface Area	75.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	451
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
MBS3844523-01	Grp94 Inhibitor-1
A20073-25	Grp94 Inhibitor-1 25mg
A20073-10	Grp94 Inhibitor-1 10mg
A20073-5	Grp94 Inhibitor-1 5mg
A20073-100	Grp94 Inhibitor-1 100mg
A20073-50	Grp94 Inhibitor-1 50mg
HY-170818	Grp94 Inhibitor-3
HY-162768	Grp94 Inhibitor-2
A20073-10mM-D	Grp94 Inhibitor-1 10mM * 1mL in DMSO
318493	HSP90B1 (GRP94, Endoplasmin, Heat shock protein 90kD beta (Grp94) member 1)