N037-0029 Screening compound: 11-ETHYL-8,16-DIHYDROXY-6-METHOXY-13-(METHOXYMETHYL)-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-4-YL ACETATE

Chemical Structure Depiction of ChemDiv screening compound N037-0029
11-ETHYL-8,16-DIHYDROXY-6-METHOXY-13-(METHOXYMETHYL)-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-4-YL ACETATE

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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

N037-0029

Molecular Formula

C₂₅H₃₉NO₆ (C25 H39 NO6)

Compound Name

11-ETHYL-8,16-DIHYDROXY-6-METHOXY-13-(METHOXYMETHYL)-11-AZAHEXACYCLO[7.7.2.1^(2,5).0^(1,10).0^(3,8).0^(13,17)]NONADECAN-4-YL ACETATE

IUPAC name

(1S4S5R6S8S9S10R13S16S)-11-ethyl-816-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{25}.0^{110}.0^{38}.0^{1317}]nonadecan-4-yl acetate

SMILES

CCN(C[C@](COC)(CC1)C2C[C@@H]3[C@@](C[C@@H]([C@H]4CC56)OC)(C6[C@H]4OC(C)=O)O)[C@H]3[C@]25[C@H]1O

InChI

InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15?,16+,17-,18?,19+,20?,21+,22+,23+,24+,25-/m1/s1

InChI Key

ZEBMMHUDQRRILP-WTXLSGBKSA-N

MDL Number (MFCD)

MFCD01533831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.221

Distribution Coefficient, logD

0.132

Water Solubility, LogSw

-2.59

Polar Surface Area

69.617

Acid Dissociation Constant (pK_a)

15.83

Base Dissociation Constant (pK_b)

8.45

Number of Chiral Centers

12.00

Percent sp³ carbon bonding

96.00

N037-0029 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Ion Channels Focused Library (26372 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Cancer
Digestive system
Respiratory tract
Nervous system
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Nervous system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Nervous system
Cardiovascular

Mechanism of action:

PPI modulators
PPI modulators

Targets:

Ion Channels

Agro:

Agro

Structure:

Mimetics

References: we are preparing a list of scientific research reports with N037-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N037-0029?
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What is the minimum amount of N037-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for N037-0029
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for N037-0029

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 N037-0029 available by request