5-HT1A modulator 1

CAT: 0127-BUP08185-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP08185-01Size:5 mg

Selected

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

Quick Request Actions

CAS Number

142477-34-7

Synonyms

5-HT1Amodulator1

Purity

=98%

Smiles

COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1

Chemical Information

5-HT1A modulator 1

CAS Number	142477-34-7
PubChem CID	9821397
IUPAC Name	6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzothiazol-2-one
Molecular Formula	C21H25N3O2S
Molecular Weight	383.5
XLogP	3.7
Topological Polar Surface Area	61.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	512

SMILES

CN1C2=C(C=C(C=C2)CCN3CCN(CC3)C4=CC=CC=C4OC)SC1=O

InChI

InChI=1S/C21H25N3O2S/c1-22-18-8-7-16(15-20(18)27-21(22)25)9-10-23-11-13-24(14-12-23)17-5-3-4-6-19(17)26-2/h3-8,15H,9-14H2,1-2H3

InChIKey

RTHIBOYVHBRSHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142477-34-7

CID: 9821397

Formula: C21H25N3O2S

MW: 383.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.5
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	383.16674822
Monoisotopic Mass	383.16674822
Topological Polar Surface Area	61.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	512
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
T10168-01	5-HT1A modulator 1
GTR19249055-01	5-HT1A modulator 4
MBS5785161	5-HT1A modulator 2 hydrochloride
A20319-1	5-HT1A modulator 1 1mg
A20319-100	5-HT1A modulator 1 100mg
A20319-50	5-HT1A modulator 1 50mg
HY-136621-01	5-HT1A modulator 2 (hydrochloride)
A20319-10	5-HT1A modulator 1 10mg
A20319-5	5-HT1A modulator 1 5mg
A20319-25	5-HT1A modulator 1 25mg