N060-0122 Screening compound: {11-ETHYL-8,9-DIHYDROXY-4,6,16,18-TETRAMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL}METHYL 2-AMINOBENZOATE

N060-0122 Screening compound: {11-ETHYL-8,9-DIHYDROXY-4,6,16,18-TETRAMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL}METHYL 2-AMINOBENZOATE
N060-0122 Screening compound: {11-ETHYL-8,9-DIHYDROXY-4,6,16,18-TETRAMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL}METHYL 2-AMINOBENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound N060-0122
{11-ETHYL-8,9-DIHYDROXY-4,6,16,18-TETRAMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL}METHYL 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

N060-0122

Molecular Formula

C32H46N2O8 (C32 H46 N2 O8)

Compound Name

{11-ETHYL-8,9-DIHYDROXY-4,6,16,18-TETRAMETHOXY-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-13-YL}METHYL 2-AMINOBENZOATE

IUPAC name

[(1S4S5R6S8R9S10S13S16S18S)-11-ethyl-89-dihydroxy-461618-tetramethoxy-11-azahexacyclo[7.7.2.1^{25}.0^{110}.0^{38}.0^{1317}]nonadecan-13-yl]methyl 2-aminobenzoate

SMILES

CCN(C[C@@](COC(c(cccc1)c1N)=O)(CC1)C([C@H]2OC)[C@@]3(C(C[C@H]([C@H]4OC)[C@@H](C5)OC)C4[C@]54O)[C@@H]1OC)[C@H]3[C@@]24O

InChI

InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26-,28-,29-,30+,31-,32+/m1/s1

InChI Key

NNDHDYDFEDRMGH-FNXYGKILSA-N

MDL Number (MFCD)

MFCD02657264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.73

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

1.449

Water Solubility, LogSw

-2.98

Polar Surface Area

102.074

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

7.42

Number of Chiral Centers

13.00

Percent sp3 carbon bonding

78.10

N060-0122 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Therapeutical Diversity Annotated Library (7563 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Phosphatases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N060-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N060-0122?
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What is the minimum amount of N060-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N060-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N060-0122
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of N060-0122 available by request