N105-0032 Screening compound: 11-ETHYL-7,16-DIHYDROXY-13-METHYL-6-METHYLIDENE-11-AZAHEXACYCLO[7.7.2.1^(5,8).0^(1,10).0^(2,8).0^(13,17)]NONADECAN-4-ONE

N105-0032 Screening compound: 11-ETHYL-7,16-DIHYDROXY-13-METHYL-6-METHYLIDENE-11-AZAHEXACYCLO[7.7.2.1^(5,8).0^(1,10).0^(2,8).0^(13,17)]NONADECAN-4-ONE
N105-0032 Screening compound: 11-ETHYL-7,16-DIHYDROXY-13-METHYL-6-METHYLIDENE-11-AZAHEXACYCLO[7.7.2.1^(5,8).0^(1,10).0^(2,8).0^(13,17)]NONADECAN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound N105-0032
11-ETHYL-7,16-DIHYDROXY-13-METHYL-6-METHYLIDENE-11-AZAHEXACYCLO[7.7.2.1^(5,8).0^(1,10).0^(2,8).0^(13,17)]NONADECAN-4-ONE

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

N105-0032

Molecular Formula

C22H31NO3 (C22 H31 NO3)

Compound Name

11-ETHYL-7,16-DIHYDROXY-13-METHYL-6-METHYLIDENE-11-AZAHEXACYCLO[7.7.2.1^(5,8).0^(1,10).0^(2,8).0^(13,17)]NONADECAN-4-ONE

IUPAC name

(1R7R8R13R16S)-11-ethyl-716-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1^{58}.0^{110}.0^{28}.0^{1317}]nonadecan-4-one

SMILES

CCN(C[C@](C)(CC1)C2CC3[C@@](CC4C5=C)(C6CC4=O)[C@@H]5O)[C@H]3[C@]26[C@H]1O

InChI

InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12?,13?,15?,16?,17-,18-,19-,20-,21-,22-/m0/s1

InChI Key

CBOSLVQFGANWTL-FDTIDULISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.629

Distribution Coefficient, logD

-0.397

Water Solubility, LogSw

-2.49

Polar Surface Area

48.254

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

86.40

N105-0032 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with N105-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N105-0032?
Check Price and Availability of N105-0032, 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 N105-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N105-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N105-0032
  • 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 N105-0032 available by request