Products for Research Use Only
RegisterLogin

ML328

CAT: 0013-GTR19166843-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19166843-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ML328 is a potent, selective small-molecule inhibitor of the bacterial helicase-nucleases AddAB (IC50 = 1.0 μM) and RecBCD (IC50 = 4.8 μM) . This compound is a valuable research tool for studying DNA repair and recombination pathways in vitro, offering insights into bacterial genome maintenance mechanisms.
CAS Number
634175-34-1
Product Name Alternative
AddAB helicase-nuclease, ML 328, ML328, ML-328, RecBCD helicase-nuclease
Field of Research
Infectious Disease & Virology
Purity
98.14% (May vary between batches)
Solubility
DMSO:50 mg/mL (98.72 mM)
Smiles
C (C) N1C=2C (C (=O) C (C (O) =O) =C1) =CN=C (N2) N3CCN (C (NC4=CC (C (F) (F) F) =CC=C4) =S) CC3
Molecular Formula
C22H21F3N6O3S
Molecular Weight
506.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS Number634175-34-1
PubChem CID1517823
IUPAC Name8-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
Molecular FormulaC22H21F3N6O3S
Molecular Weight506.5
XLogP2.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity864
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(F)(F)F)C(=O)O
InChI
InChI=1S/C22H21F3N6O3S/c1-2-29-12-16(19(33)34)17(32)15-11-26-20(28-18(15)29)30-6-8-31(9-7-30)21(35)27-14-5-3-4-13(10-14)22(23,24)25/h3-5,10-12H,2,6-9H2,1H3,(H,27,35)(H,33,34)
InChIKey
USYVBPXJSBDUTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CAS: 634175-34-1
CID: 1517823
Formula: C22H21F3N6O3S
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass506.13479421
Monoisotopic Mass506.13479421
Topological Polar Surface Area134 Ų
Heavy Atom Count35
Formal Charge0
Complexity864
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
GTR19172291-01ML348
GTR19165558-01ML382
GTR19164266-01ML324
GTR19170022-01ML329
GTR19177759-01ML323
GTR19199930-01ML388
GTR19198866-01ML358
GTR19189548ML338
GTR19169779-01ML324
GTR19168999-01ML327

Alternative Products

CatalogName
BA1328-10ML328

Popular Products