CAS RN: 170930-46-8
Arp2/3 Complex Inhibitor I, Inactive Control, CK-689 – CAS 170930-46-8 – Calbiochem
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS170930-46-8
- Purity/Analytical Methods: >99.0%
170930-46-8 / N-[2-(1H-indol-3-yl)ethyl]-2-methoxyacetamide
Basic Information
CAS
170930-46-8
Multi CAS
No
Molecular Formula
C13H16N2O2
Molecular Weight
232.280000
Exact Mass
232.121178
SMILES
COCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O2/c1-17-9-13(16)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8,15H,6-7,9H2,1H3,(H,14,16)
InChIKey
IWUPERDFXYTEGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
66.89
TPSA
54.12
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.7
Consensus LogP
1.49
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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