MS402

CAT: 0931-T12112-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T12112-01Size:5 mg

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

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CAS Number

1672684-68-2

Target

Epigenetic Reader Domain

Related Pathways

Chromatin/Epigenetic

Purity

>99.99%

Bioactivity

MS402 is a novel BD1-selective BET BrD inhibitor.

Smiles

COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)c(Cl)c2)cc1

Molecular Formula

C20H19ClN2O3

Molecular Weight

370.83

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-Chloranyl-~{n}-(4-Methoxyphenyl)-4-[(2-Methyl-3-Oxidanylidene-Cyclopenten-1-Yl)amino]benzamide

CAS Number	1672684-68-2
PubChem CID	90718189
IUPAC Name	3-chloro-N-(4-methoxyphenyl)-4-[(2-methyl-3-oxocyclopenten-1-yl)amino]benzamide
Molecular Formula	C20H19ClN2O3
Molecular Weight	370.8
XLogP	3.6
Topological Polar Surface Area	67.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	569

SMILES

CC1=C(CCC1=O)NC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C20H19ClN2O3/c1-12-17(9-10-19(12)24)23-18-8-3-13(11-16(18)21)20(25)22-14-4-6-15(26-2)7-5-14/h3-8,11,23H,9-10H2,1-2H3,(H,22,25)

InChIKey

VZTVTSICPINUNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1672684-68-2

CID: 90718189

Formula: C20H19ClN2O3

MW: 370.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	370.8
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	370.1084202
Monoisotopic Mass	370.1084202
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	569
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

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Alternative Products

Catalog	Name
HY-120000-01	MS402
A18866-50	MS402 50mg
A18866-25	MS402 25mg
A18866-5	MS402 5mg
A18866-200	MS402 200mg
A18866-100	MS402 100mg
A18866-10	MS402 10mg
A18866-10mM-D	MS402 10mM * 1mL in DMSO

MS402

Chemical Information

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