N051-0018 Screening compound: 3-[(E)ethylidene]-6-hydroxy-5,6-dimethyldodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

N051-0018 Screening compound: 3-[(E)ethylidene]-6-hydroxy-5,6-dimethyldodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
N051-0018 Screening compound: 3-[(E)ethylidene]-6-hydroxy-5,6-dimethyldodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound N051-0018
3-[(E)ethylidene]-6-hydroxy-5,6-dimethyldodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

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

N051-0018

Molecular Formula

C18H27NO5 (C18 H27 NO5)

Compound Name

3-[(E)ethylidene]-6-hydroxy-5,6-dimethyldodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

IUPAC name

(4E)-4-ethylidene-7-hydroxy-67-dimethyl-29-dioxa-14-azatricyclo[9.5.1.0^{1417}]heptadecane-38-dione

SMILES

CC(C/C(/C(OC1C(C(CC2)COC3=O)N2CC1)=O)=C\C)C3(C)O

InChI

InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3

InChI Key

BTHCJHQOYFUIMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02657252

Chemical and Physical Properties

Saltdata

HOOCCH(OH)CH(OH)COOH

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.764

Distribution Coefficient, logD

-1.198

Water Solubility, LogSw

-1.67

Polar Surface Area

63.209

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

10.36

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

77.80

N051-0018 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with N051-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N051-0018?
Check Price and Availability of N051-0018, 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 N051-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N051-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N051-0018
  • 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 N051-0018 available by request