Products for Research Use Only
RegisterLogin

CH-0076989

CAT: 0931-T30865Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T30865Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
954371-52-9
Target
Others, CCR
Related Pathways
Immunology/Inflammation, Microbiology/Virology, GPCR/G Protein, Others
Bioactivity
CH-0076989 is a chemokine receptor CCR3 agonist.
Smiles
[Br-].O=C(NC1=CC=[N+](C(Br)=C1)CCCC=2C=CC=CC2)CC=3C=CC=C4OC=CC43
Molecular Formula
C24H22Br2N2O2
Molecular Weight
530.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyridinium, 4-((2-(4-benzofuranyl)acetyl)amino)-2-bromo-1-(3-phenylpropyl)-, bromide (1:1)
CAS Number954371-52-9
PubChem CID44560290
IUPAC Name2-(1-benzofuran-4-yl)-N-[2-bromo-1-(3-phenylpropyl)pyridin-1-ium-4-yl]acetamide bromide
Molecular FormulaC24H22Br2N2O2
Molecular Weight530.3
Topological Polar Surface Area46.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity525
SMILES
C1=CC=C(C=C1)CCC[N+]2=C(C=C(C=C2)NC(=O)CC3=C4C=COC4=CC=C3)Br.[Br-]
InChI
InChI=1S/C24H21BrN2O2.BrH/c25-23-17-20(11-14-27(23)13-5-8-18-6-2-1-3-7-18)26-24(28)16-19-9-4-10-22-21(19)12-15-29-22;/h1-4,6-7,9-12,14-15,17H,5,8,13,16H2;1H
InChIKey
OONLXNFYGYMTLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyridinium, 4-((2-(4-benzofuranyl)acetyl)amino)-2-bromo-1-(3-phenylpropyl)-, bromide (1:1)
CAS: 954371-52-9
CID: 44560290
Formula: C24H22Br2N2O2
MW: 530.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass530.00275
Monoisotopic Mass528.00480
Topological Polar Surface Area46.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
T30861-01CH 200
TP2045-01CH 275
T30863CH 402
T30860CH 150
TP1012-01CH 5450
T14945-01CH-0793076
T30867CH-4933468
T30858-01CH 102
T30859-01CH 141
T30866-01CH-100

Alternative Products

CatalogName
GTR19195111-01CH-0076989
HY-163235Phenyl phenylcarbamate-CH-5-methoxypicolinamide-CH-CH-Ph-CF3
HY-122894Ch-319
FC137662-01CH-223191
ZGA68878-01CH 275
254955-01Ch 55
MBS3846397-01CH 5450
TRC-C291805-10MGCH 223191
MBS5780491-01CH-100
MBS395823-01ch-Alk2

Popular Products