Products for Research Use Only
RegisterLogin

TCS 1102

CAT: 0127-BUP13361-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP13361-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
916141-36-1
Synonyms
DORA-1
Purity
=98%
Smiles
Cn1c(SCC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc12

Chemical Information

Tcs 1102

an antagonist of both orexin receptor 1 and orexin receptor 2

CAS Number916141-36-1
PubChem CID11960895
IUPAC Name(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
Molecular FormulaC27H26N4O2S
Molecular Weight470.6
XLogP4.9
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity715
SMILES
CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C27H26N4O2S/c1-30-23-15-8-7-14-22(23)29-27(30)34-18-25(32)31-17-9-16-24(31)26(33)28-21-13-6-5-12-20(21)19-10-3-2-4-11-19/h2-8,10-15,24H,9,16-18H2,1H3,(H,28,33)/t24-/m0/s1
InChIKey
YSBGRVXJEMSEQY-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Tcs 1102
CAS: 916141-36-1
CID: 11960895
Formula: C27H26N4O2S
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass470.17764726
Monoisotopic Mass470.17764726
Topological Polar Surface Area92.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity715
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP05775-01TCS 1105
BUP07725-01TCS 2210
BUP09850-01TCS 46b
BUP06215-01TCS 359
BUP02693TCS 401
OR1023321-01TCS 401
BUP11664-01TCS HDAC6 20b
BUP05857-01TCS-OX2-29
BUP13329-01TCS JNK 5a
BUP01192-01CDD-1102 HCl

Alternative Products

CatalogName
B1044-10TCS 1102
T9901A-1098-01ZL-1102
T86892-01MG-1102
HY-153481ATL 1102
YXB15315-01UR 1102
A13439-100TCS 1102 100mg
A13439-50TCS 1102 50mg
A13439-5TCS 1102 5mg
T72058L-01CDD-1102 HCl
HY-153481AATL 1102 (sodium)

Popular Products