N038-0221 Screening compound: (7R,10S,11S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylene-4-oxo-12-azoniahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-12-olate

N038-0221 Screening compound: (7R,10S,11S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylene-4-oxo-12-azoniahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-12-olate
N038-0221 Screening compound: (7R,10S,11S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylene-4-oxo-12-azoniahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-12-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound N038-0221
(7R,10S,11S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylene-4-oxo-12-azoniahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-12-olate

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

N038-0221

Molecular Formula

C22H31NO4 (C22 H31 NO4)

Compound Name

(7R,10S,11S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylene-4-oxo-12-azoniahexacyclo[8.7.1.1~5,8~.0~1,11~.0~2,8~.0~14,18~]nonadecan-12-olate

IUPAC name

(7R10S14R17S)-12-ethyl-717-dihydroxy-14-methyl-6-methylidene-4-oxo-12-azahexacyclo[8.7.1.1^{58}.0^{111}.0^{28}.0^{1418}]nonadecan-12-ium-12-olate

SMILES

CC[N+](C[C@](C)(CC1)C2[C@@H]3CC(CC4C5=C)([C@@H]5O)C5CC4=O)(C3C25[C@H]1O)[O-]

InChI

InChI=1S/C22H31NO4/c1-4-23(27)10-20(3)6-5-16(25)22-15-7-14(24)12-8-21(15,19(26)11(12)2)9-13(17(20)22)18(22)23/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12?,13-,15?,16-,17?,18?,19-,20-,21?,22?,23?/m0/s1

InChI Key

YSZTYEFJOQWJGA-BSQXRECTSA-N

MDL Number (MFCD)

MFCD01533835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.351

Distribution Coefficient, logD

1.351

Water Solubility, LogSw

-1.43

Polar Surface Area

61.056

Acid Dissociation Constant (pKa)

16.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

11.00

Percent sp3 carbon bonding

86.40

N038-0221 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N038-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N038-0221?
Check Price and Availability of N038-0221, 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 N038-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N038-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N038-0221
  • 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 N038-0221 available by request