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TC-E 5002

CAT: 0607-B4930-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B4930-25Size:25 mg
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Description
Selective histone demethylase KDM2/7 subfamily inhibitor
CAS Number
1453071-47-0
Product Name Alternative
3-(9-cyclopropyl-N-hydroxynonanamido)propanoic acid
Field of Research
Chromatin Epigenetics Histone Demethylases
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
O=C(N(O)CCC(O)=O)CCCCCCCCC1CC1
Molecular Formula
C15H27NO4
Molecular Weight
285.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine
CAS Number1453071-47-0
PubChem CID71735843
IUPAC Name3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acid
Molecular FormulaC15H27NO4
Molecular Weight285.38
XLogP3.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity302
SMILES
C1CC1CCCCCCCCC(=O)N(CCC(=O)O)O
InChI
InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
InChIKey
NEHSERYKENINRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine
CAS: 1453071-47-0
CID: 71735843
Formula: C15H27NO4
MW: 285.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.38
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass285.19400834
Monoisotopic Mass285.19400834
Topological Polar Surface Area77.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B2856-5TC-E 5002
A16373-25KDM2/7-IN-1 (TC-E 5002) 25mg
A16373-10KDM2/7-IN-1 (TC-E 5002) 10mg
A16373-50KDM2/7-IN-1 (TC-E 5002) 50mg
A16373-5KDM2/7-IN-1 (TC-E 5002) 5mg
A16373-1KDM2/7-IN-1 (TC-E 5002) 1mg
T23430-01TC-E 5005
HY-110144TC-E 5008
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