N037-0028 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-ACETAMIDOBENZOATE

N037-0028 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-ACETAMIDOBENZOATE
N037-0028 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-ACETAMIDOBENZOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound N037-0028
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-ACETAMIDOBENZOATE

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

N037-0028

Molecular Formula

C32H44N2O8 (C32 H44 N2 O8)

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-ACETAMIDOBENZOATE

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-acetamidobenzoate

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)c4NC(C)=O)=O)[C@H]3[C@@]25[C@H]1OC

InChI

InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23?,24?,25+,26+,27+,29+,30-,31-,32-/m0/s1

InChI Key

NWBWCXBPKTTZNQ-AOZHXGLUSA-N

MDL Number (MFCD)

MFCD01533830

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

584.71

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.142

Distribution Coefficient, logD

1.081

Water Solubility, LogSw

-2.80

Polar Surface Area

95.871

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

12.00

Percent sp3 carbon bonding

75.00

N037-0028 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Protein-Protein Interaction Library (218420 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with N037-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N037-0028?
Check Price and Availability of N037-0028, 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.
What is the minimum amount of N037-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N037-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N037-0028
  • 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 N037-0028 available by request