BAY-2402234 10mg

CAT: 0628-A19822-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A19822-10Size:10 mg

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CAS Number

2225819-06-5

Chemical Information

Orludodstat

Orludodstat is a small molecule drug. The usage of the INN stem '-dodstat' in the name indicates that Orludodstat is a dihydro-orotate dehydrogenase (DHODH) inhibitor. Orludodstat is under investigation in clinical trial NCT03404726 (A Study to Investigate BAY2402234, a Dihydroorotate Dehydrogenase (DHODH) Inhibitor, in Myeloid Malignancies). Orludodstat has a monoisotopic molecular weight of 520.09 Da.

CAS Number	2225819-06-5
PubChem CID	134470179
IUPAC Name	N-(2-chloro-6-fluorophenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
Molecular Formula	C21H18ClF5N4O4
Molecular Weight	520.8
XLogP	4
Topological Polar Surface Area	94.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	819

SMILES

CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)O[C@@H](C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO

InChI

InChI=1S/C21H18ClF5N4O4/c1-3-30-17(9-32)29-31(20(30)34)15-8-16(35-10(2)21(25,26)27)11(7-14(15)24)19(33)28-18-12(22)5-4-6-13(18)23/h4-8,10,32H,3,9H2,1-2H3,(H,28,33)/t10-/m0/s1

InChIKey

KNVJMHHAXCPZHF-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 2225819-06-5

CID: 134470179

Formula: C21H18ClF5N4O4

MW: 520.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	520.8
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	520.0936736
Monoisotopic Mass	520.0936736
Topological Polar Surface Area	94.5 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	819
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A19822-2	BAY-2402234 2mg
A19822-1	BAY-2402234 1mg
A19822-10mM-D	BAY-2402234 10mM * 1mL in DMSO
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Alternative Products

Catalog	Name
MBS3603554-01	BAY 2402234
BUP04771-01	BAY-2402234
S8847-100mg	Orludodstat (BAY 2402234)
MBS131507	BAY-1217389 BAY 1217389? BAY 1217389?
A4210-25	Bay 11-7821 (BAY 11-7082)

BAY-2402234 10mg

Chemical Information

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