Products for Research Use Only
RegisterLogin

LB244

CAT: 0013-GTR19230313-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19230313-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
LB244 is an orally bioavailable small molecule STING inhibitor with an EC50 of 0.8 μM. It is a functional analogue of BB-Cl-amidine, useful for studying STING-driven inflammation in cellular assays, though its oral bioavailability in mouse models is limited.
CAS Number
3074622-05-9
Field of Research
Immunology & Inflammation
Smiles
O=C (C1=CC=C (C2=CC=CC=C2) C=C1) N[C@H] (C3=NC4=CC=CC=C4N3) CCCCNC (C5=CC=C ([N+] ([O-]) =O) O5) =O
Molecular Formula
C30H27N5O5
Molecular Weight
537.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(5S)-5-(1H-benzimidazol-2-yl)-5-[(4-phenylbenzoyl)amino]pentyl]-5-nitrofuran-2-carboxamide
CAS Number3074622-05-9
PubChem CID168679716
IUPAC NameN-[(5S)-5-(1H-benzimidazol-2-yl)-5-[(4-phenylbenzoyl)amino]pentyl]-5-nitrofuran-2-carboxamide
Molecular FormulaC30H27N5O5
Molecular Weight537.6
XLogP5.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity854
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N[C@@H](CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C30H27N5O5/c36-29(22-15-13-21(14-16-22)20-8-2-1-3-9-20)34-25(28-32-23-10-4-5-11-24(23)33-28)12-6-7-19-31-30(37)26-17-18-27(40-26)35(38)39/h1-5,8-11,13-18,25H,6-7,12,19H2,(H,31,37)(H,32,33)(H,34,36)/t25-/m0/s1
InChIKey
YJTWDEBBCCREDG-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of N-[(5S)-5-(1H-benzimidazol-2-yl)-5-[(4-phenylbenzoyl)amino]pentyl]-5-nitrofuran-2-carboxamide
CAS: 3074622-05-9
CID: 168679716
Formula: C30H27N5O5
MW: 537.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.6
XLogP35.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass537.20121898
Monoisotopic Mass537.20121898
Topological Polar Surface Area146 Ų
Heavy Atom Count40
Formal Charge0
Complexity854
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

Alternative Products

CatalogName
T79730-01LB244

Popular Products