0242-0342 Screening compound: 2-nitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

0242-0342 Screening compound: 2-nitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
0242-0342 Screening compound: 2-nitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0342
2-nitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

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

0242-0342

Molecular Formula

C20H23NO8 (C20 H23 NO8)

Compound Name

2-nitro-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

IUPAC name

11-nitro-258151821-hexaoxatricyclo[20.4.0.0^{914}]hexacosa-1(22)9(14)10122325-hexaene

SMILES

[O-][N+](c(cc1)cc2c1OCCOCCOc(cccc1)c1OCCOCCO2)=O

InChI

InChI=1S/C20H23NO8/c22-21(23)16-5-6-19-20(15-16)29-14-10-25-8-12-27-18-4-2-1-3-17(18)26-11-7-24-9-13-28-19/h1-6,15H,7-14H2

InChI Key

ILLUPZYAROEJNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.978

Distribution Coefficient, logD

1.978

Water Solubility, LogSw

-2.21

Polar Surface Area

81.222

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 0242-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0342?
Check Price and Availability of 0242-0342, 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 0242-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0342
  • 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 0242-0342 available by request