8018-0405 Screening compound: 2-[3-(2-methoxy-4-nitrophenoxy)propoxy]-5-nitrophenyl methyl ether

8018-0405 Screening compound: 2-[3-(2-methoxy-4-nitrophenoxy)propoxy]-5-nitrophenyl methyl ether
8018-0405 Screening compound: 2-[3-(2-methoxy-4-nitrophenoxy)propoxy]-5-nitrophenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0405
2-[3-(2-methoxy-4-nitrophenoxy)propoxy]-5-nitrophenyl methyl ether

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

8018-0405

Molecular Formula

C17H18N2O8 (C17 H18 N2 O8)

Compound Name

2-[3-(2-methoxy-4-nitrophenoxy)propoxy]-5-nitrophenyl methyl ether

IUPAC name

2-methoxy-1-[3-(2-methoxy-4-nitrophenoxy)propoxy]-4-nitrobenzene

SMILES

COc(cc(cc1)[N+]([O-])=O)c1OCCCOc(ccc([N+]([O-])=O)c1)c1OC

InChI

InChI=1S/C17H18N2O8/c1-24-16-10-12(18(20)21)4-6-14(16)26-8-3-9-27-15-7-5-13(19(22)23)11-17(15)25-2/h4-7,10-11H,3,8-9H2,1-2H3

InChI Key

NJPQYHHYRKFBSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.43

Polar Surface Area

96.999

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8018-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0405?
Check Price and Availability of 8018-0405, 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 8018-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0405
  • 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 8018-0405 available by request