Products for Research Use Only
RegisterLogin

BRD5018

CAT: 0013-GTR19222264-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19222264-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BRD5018 is a small molecule compound with antimalarial activity, suitable for research applications. It has been utilized in both in vitro assays to study parasite inhibition and in vivo models for evaluating therapeutic efficacy against malaria.
CAS Number
2245231-51-8
Field of Research
Infectious Disease & Virology
Smiles
[H][C@@]12CN (C[C@@H] (O) [C@@H] (O) CN1[C@H] (CN (C) C) [C@@H]2c1ccc (cc1) C#Cc1ccccc1) C (=O) Nc1ccc (OC) cc1
Molecular Formula
C33H38N4O4
Molecular Weight
554.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3S,4R,8R,9S,10S)-10-[(dimethylamino)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CAS Number2245231-51-8
PubChem CID147665610
IUPAC Name(3S,4R,8R,9S,10S)-10-[(dimethylamino)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Molecular FormulaC33H38N4O4
Molecular Weight554.7
XLogP3.4
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity911
SMILES
CN(C)C[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](CN(C2)C(=O)NC3=CC=C(C=C3)OC)O)O)C4=CC=C(C=C4)C#CC5=CC=CC=C5
InChI
InChI=1S/C33H38N4O4/c1-35(2)19-28-32(25-13-11-24(12-14-25)10-9-23-7-5-4-6-8-23)29-20-36(21-30(38)31(39)22-37(28)29)33(40)34-26-15-17-27(41-3)18-16-26/h4-8,11-18,28-32,38-39H,19-22H2,1-3H3,(H,34,40)/t28-,29+,30-,31+,32+/m1/s1
InChIKey
GMFUBIXUEFNREY-OXFURMMHSA-N
Chemical Structure
2D Structure
2D structure of (3S,4R,8R,9S,10S)-10-[(dimethylamino)methyl]-3,4-dihydroxy-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
CAS: 2245231-51-8
CID: 147665610
Formula: C33H38N4O4
MW: 554.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.7
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass554.28930571
Monoisotopic Mass554.28930571
Topological Polar Surface Area88.5 Ų
Heavy Atom Count41
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19237959-01BRD5075
GTR19209960-01BRD5814
GTR19195302-01BRD0418
GTR19178079-01BRD5648
GTR19238336-01BRD5080
GTR19238970-01BRD8518

Alternative Products

CatalogName
MBS5800170BRD5018

Popular Products