4964-4356 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(4,5-dimethoxy-2-nitrophenyl)methyl]amine

4964-4356 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(4,5-dimethoxy-2-nitrophenyl)methyl]amine
4964-4356 Screening compound: [2-(2H-1,3-benzodioxol-5-yl)ethyl][(4,5-dimethoxy-2-nitrophenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-4356
[2-(2H-1,3-benzodioxol-5-yl)ethyl][(4,5-dimethoxy-2-nitrophenyl)methyl]amine

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

4964-4356

Molecular Formula

C18H20N2O6 (C18 H20 N2 O6)

Compound Name

[2-(2H-1,3-benzodioxol-5-yl)ethyl][(4,5-dimethoxy-2-nitrophenyl)methyl]amine

IUPAC name

[2-(2H-13-benzodioxol-5-yl)ethyl][(45-dimethoxy-2-nitrophenyl)methyl]amine

SMILES

COc(c(OC)c1)cc(CNCCc(cc2)cc3c2OCO3)c1[N+]([O-])=O

InChI

InChI=1S/C18H20N2O6/c1-23-16-8-13(14(20(21)22)9-17(16)24-2)10-19-6-5-12-3-4-15-18(7-12)26-11-25-15/h3-4,7-9,19H,5-6,10-11H2,1-2H3

InChI Key

QSFYVLINSJJVSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817785

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

0.332

Water Solubility, LogSw

-2.79

Polar Surface Area

77.303

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

9.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4964-4356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-4356?
Check Price and Availability of 4964-4356, 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 4964-4356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-4356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-4356
  • 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 4964-4356 available by request