Products for Research Use Only
RegisterLogin

DDABT1

CAT: 0931-T86175-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T86175-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2777045-35-7
Target
Anti-infection
Related Pathways
Microbiology/Virology
Bioactivity
DDABT1 exhibits anti-CHIKV activity (IC50 of 14.53 μM) and possesses anti-inflammatory and anti-arthritic properties [1].
Smiles
C(N1C=2C(N=C1CCC)=C(C)C=C(C2)C3=NC=4C(N3C)=CC=CC4)C5=CC=C(C=C5)C6=C(C(OC7=C(C(O)=O)C=CC=C7)=O)C=CC=C6
Molecular Formula
C40H34N4O4
Molecular Weight
634.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ddabt1
CAS Number2777045-35-7
PubChem CID170453325
IUPAC Name2-[2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoyl]oxybenzoic acid
Molecular FormulaC40H34N4O4
Molecular Weight634.7
XLogP8.3
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count48
Formal Charge0
Complexity1100
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC5=CC=CC=C5C(=O)O)C=C(C=C2C)C6=NC7=CC=CC=C7N6C
InChI
InChI=1S/C40H34N4O4/c1-4-11-36-42-37-25(2)22-28(38-41-32-15-8-9-16-33(32)43(38)3)23-34(37)44(36)24-26-18-20-27(21-19-26)29-12-5-6-13-30(29)40(47)48-35-17-10-7-14-31(35)39(45)46/h5-10,12-23H,4,11,24H2,1-3H3,(H,45,46)
InChIKey
MVXXPOXJHVKWPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ddabt1
CAS: 2777045-35-7
CID: 170453325
Formula: C40H34N4O4
MW: 634.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.7
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass634.25800558
Monoisotopic Mass634.25800558
Topological Polar Surface Area99.2 Ų
Heavy Atom Count48
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T10982-01DdATP
T211538-01DdATP lithium
T203309-01DdATP tetrasodium
TSW-01137-01DdATPαS tetrasodium
TSW-00879-013'-NH2-ddATP sodium
TMAB-05023-01Anti-DDAH1 Polyclonal Antibody
TMAB-05024-01Anti-DDAH1 Antibody (6J636)
T88413-013′-Azido-ddATP sodium
T38532-017-Deaza-7-propargylamino-ddATP
T38532L7-Deaza-7-propargylamino-ddATP 3TEA

Alternative Products

CatalogName
HY-163132DDABT1

Popular Products