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YH239-EE

CAT: 0607-B4756-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B4756-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
p53-MDM2 antagonist, potent
CAS Number
1364488-67-4
Product Name Alternative
(Z)-N-(tert-butyl)-2-(6-chloro-2-(ethoxycarbonyl)-1H-indol-3-yl)-2-(N-(4-chlorobenzyl)formamido)acetimidic acid
Field of Research
Apoptosis MDM2
Purity
0.9992
Form
A solid
Solubility
≥50.4 mg/mL in DMSO; insoluble in H2O; ≥4.26 mg/mL in EtOH with ultrasonic
Smiles
CCOC(C1=C(C(N(C=O)CC2=CC=C(Cl)C=C2)/C(O)=N/C(C)(C)C)C3=C(N1)C=C(Cl)C=C3)=O
Molecular Formula
C25H27Cl2N3O4
Molecular Weight
504.41
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Ethyl 3-(2-(tert-butylamino)-1-(N-(4-chlorobenzyl)formamido)-2-oxoethyl)-6-chloro-1H-indole-2-carboxylate
CAS Number1364488-67-4
PubChem CID56943013
IUPAC Nameethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate
Molecular FormulaC25H27Cl2N3O4
Molecular Weight504.4
XLogP5.2
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity723
SMILES
CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC=C(C=C3)Cl)C=O
InChI
InChI=1S/C25H27Cl2N3O4/c1-5-34-24(33)21-20(18-11-10-17(27)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-6-8-16(26)9-7-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
InChIKey
OTUBDDRFPQLPKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-(2-(tert-butylamino)-1-(N-(4-chlorobenzyl)formamido)-2-oxoethyl)-6-chloro-1H-indole-2-carboxylate
CAS: 1364488-67-4
CID: 56943013
Formula: C25H27Cl2N3O4
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass503.1378617
Monoisotopic Mass503.1378617
Topological Polar Surface Area91.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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B1229-25YH239-EE
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A14118-50YH239-EE 50mg
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A14118-5YH239-EE 5mg
A14118-10mM-DYH239-EE 10mM * 1mL in DMSO
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