1623-0064 Screening compound: 15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

1623-0064 Screening compound: 15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine
1623-0064 Screening compound: 15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1623-0064
15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

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

1623-0064

Molecular Formula

C14H18N2O9 (C14 H18 N2 O9)

Compound Name

15,16-dinitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine

IUPAC name

1516-dinitro-2356891112-octahydro-1471013-benzopentaoxacyclopentadecine

SMILES

[O-][N+](c(cc1OCCOCCOCCOCCOc1c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C14H18N2O9/c17-15(18)11-9-13-14(10-12(11)16(19)20)25-8-6-23-4-2-21-1-3-22-5-7-24-13/h9-10H,1-8H2

InChI Key

ULJMTCOSXHIKST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.3

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.075

Distribution Coefficient, logD

0.075

Water Solubility, LogSw

-1.21

Polar Surface Area

106.279

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

1623-0064 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1623-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1623-0064?
Check Price and Availability of 1623-0064, 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 1623-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1623-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1623-0064
  • 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 1623-0064 available by request