MDK03855

CAT: 0931-T70601-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70601-01Size:25 mg

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CAS Number

1454903-85-5

Target

Others

Related Pathways

Others

Bioactivity

MDK03855, also known as A2AR antagonist 19, is an adenosine A2A receptor (A2AR) antagonist. MDK03855 has CAS#1454903-85-5. The last five digit of CAS# was used for name.

Smiles

N(=C/C1=CC=C(Br)C=C1)\C=2N(C(=S)SC2C#N)C3=CC=CC=C3

Molecular Formula

C17H10BrN3S2

Molecular Weight

400.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile

CAS Number	1454903-85-5
PubChem CID	72164358
IUPAC Name	4-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile
Molecular Formula	C17H10BrN3S2
Molecular Weight	400.3
XLogP	4.7
Topological Polar Surface Area	96.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	564

SMILES

C1=CC=C(C=C1)N2C(=C(SC2=S)C#N)/N=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H10BrN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+

InChIKey

CZGKLCQUUVSDMP-RGVLZGJSSA-N

Chemical Structure

2D Structure

CAS: 1454903-85-5

CID: 72164358

Formula: C17H10BrN3S2

MW: 400.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	400.3
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	398.94995
Monoisotopic Mass	398.94995
Topological Polar Surface Area	96.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	564
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19209474-01	MDK03855

MDK03855

Chemical Information

Alternative Products

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