Products for Research Use Only

ML-098

CAT: 0013-GTR19160916-08Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160916-08Size:500 mg
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Description
ML-098 (CID-7345532) is a small molecule pan activator families of Ras-related GTPases (EC50=77-588 nM for Rab7, Rab-2A, Cdc42, Rac1) ; no activity on glutathione S-transferase (EC50> 100 uM) .
CAS Number
878978-76-8
Product Name Alternative
CID-7345532
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 29 mg/mL
Smiles
O=C (C1=CN (CCOC2=CC (C) =CC=C2C) C3=C1C=CC=C3) O
Molecular Formula
C19H19NO3
Molecular Weight
309.3591
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Indole-3-carboxylic acid, 1-[2- (2,5-dimethylphenoxy) ethyl]-

Chemical Information

1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic Acid

1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid is an indolyl carboxylic acid.

CAS Number878978-76-8
PubChem CID7345532
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic acid
Molecular FormulaC19H19NO3
Molecular Weight309.4
XLogP3.9
Topological Polar Surface Area51.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity413
SMILES
CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKey
LILIWWFBJKBUCO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic Acid
CAS: 878978-76-8
CID: 7345532
Formula: C19H19NO3
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass309.13649347
Monoisotopic Mass309.13649347
Topological Polar Surface Area51.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity413
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