8014-2259 Screening compound: 1617-dimethoxy-57-dioxa-13lambda5-azapentacyclo[11.8.0.0^{210}.0^{48}.0^{1520}]henicosa-1(21)24(8)91315(20)1618-octaen-13-ylium

8014-2259 Screening compound: 1617-dimethoxy-57-dioxa-13lambda5-azapentacyclo[11.8.0.0^{210}.0^{48}.0^{1520}]henicosa-1(21)24(8)91315(20)1618-octaen-13-ylium
8014-2259 Screening compound: 1617-dimethoxy-57-dioxa-13lambda5-azapentacyclo[11.8.0.0^{210}.0^{48}.0^{1520}]henicosa-1(21)24(8)91315(20)1618-octaen-13-ylium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2259
1617-dimethoxy-57-dioxa-13lambda5-azapentacyclo[11.8.0.0^{210}.0^{48}.0^{1520}]henicosa-1(21)24(8)91315(20)1618-octaen-13-ylium

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

8014-2259

Molecular Formula

C20H18NO4 (C20 H18 NO4)

Compound Name

1617-dimethoxy-57-dioxa-13lambda5-azapentacyclo[11.8.0.0^{210}.0^{48}.0^{1520}]henicosa-1(21)24(8)91315(20)1618-octaen-13-ylium

IUPAC name

n/a

SMILES

COc1ccc(cc(-c(c(CC2)c3)cc4c3OCO4)[n+]2c2)c2c1OC

InChI

InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1

InChI Key

YBHILYKTIRIUTE-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

CL-

Molecular Weight

336.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.176

Distribution Coefficient, logD

4.176

Water Solubility, LogSw

-4.26

Polar Surface Area

33.453

Acid Dissociation Constant (pKa)

24.15

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8014-2259 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8014-2259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2259?
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What is the minimum amount of 8014-2259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2259
  • 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 8014-2259 available by request