MB725

CAT: 0931-T33219-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T33219-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2230058-99-6

Target

Others

Related Pathways

Others

Bioactivity

MB725 is a strong and selective inducer of viability reduction in several cancer cell lines containing the oncogenic p53-Y220C mutation.

Smiles

C(NCC)(=O)C1=C2C(=C(C(I)=C1O)N3C=CC=C3)SC(N(CC)CC)=N2

Molecular Formula

C18H21IN4O2S

Molecular Weight

484.35

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-(Diethylamino)-N-ethyl-5-hydroxy-6-iodo-7-(1H-pyrrol-1-yl)benzo[d]thiazole-4-carboxamide

CAS Number	2230058-99-6
PubChem CID	134817178
IUPAC Name	2-(diethylamino)-N-ethyl-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxamide
Molecular Formula	C18H21IN4O2S
Molecular Weight	484.4
XLogP	4.5
Topological Polar Surface Area	98.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	490

SMILES

CCNC(=O)C1=C2C(=C(C(=C1O)I)N3C=CC=C3)SC(=N2)N(CC)CC

InChI

InChI=1S/C18H21IN4O2S/c1-4-20-17(25)11-13-16(26-18(21-13)22(5-2)6-3)14(12(19)15(11)24)23-9-7-8-10-23/h7-10,24H,4-6H2,1-3H3,(H,20,25)

InChIKey

GBNAUQMZRRFQTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2230058-99-6

CID: 134817178

Formula: C18H21IN4O2S

MW: 484.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	484.4
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	484.04299
Monoisotopic Mass	484.04299
Topological Polar Surface Area	98.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	490
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19194235-01	MB725

MB725

Chemical Information

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