N060-0121 Screening compound: 11-ETHYL-3,8-DIHYDROXY-4,6,16-TRIMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL 2-AMINOBENZOATE
Chemical Structure Depiction of ChemDiv screening compound N060-0121
11-ETHYL-3,8-DIHYDROXY-4,6,16-TRIMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL 2-AMINOBENZOATE
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
N060-0121
Molecular Formula
C30H42N2O7 (C30 H42 N2 O7)
Compound Name
11-ETHYL-3,8-DIHYDROXY-4,6,16-TRIMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL 2-AMINOBENZOATE
IUPAC name
(1S3S4S5R6S8S9S10R13S16S)-11-ethyl-38-dihydroxy-4616-trimethoxy-11-azahexacyclo[7.7.2.1^{25}.0^{110}.0^{38}.0^{1317}]nonadecan-13-yl 2-aminobenzoate
SMILES
CCN(C[C@](CC1)(C2C[C@@H]3[C@@](C[C@@H]([C@@H](CC45)[C@@H]6OC)OC)([C@]46O)O)OC(c(cccc4)c4N)=O)[C@H]3[C@@]25[C@H]1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
542.67
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
4.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.724
Distribution Coefficient, logD
1.673
Water Solubility, LogSw
-2.99
Polar Surface Area
93.403
Acid Dissociation Constant (pKa)
13.09
Base Dissociation Constant (pKb)
6.50
Number of Chiral Centers
12.00
Percent sp3 carbon bonding
76.70
N060-0121 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Natural Compounds Library (353 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Recognition Elements PPI Library (24135 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
- Mimetics
References: we are preparing a list of scientific research reports with N060-0121 chemical compound. It will be published here after verification.
Frequently Asked Questions
Check Price and Availability of N060-0121, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)