8012-4309 Screening compound: N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide

8012-4309 Screening compound: N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
8012-4309 Screening compound: N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4309
N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide

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

8012-4309

Molecular Formula

C16H15N3O7 (C16 H15 N3 O7)

Compound Name

N-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide

IUPAC name

N-[2-(4-methoxyphenoxy)ethyl]-35-dinitrobenzamide

SMILES

COc(cc1)ccc1OCCNC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H15N3O7/c1-25-14-2-4-15(5-3-14)26-7-6-17-16(20)11-8-12(18(21)22)10-13(9-11)19(23)24/h2-5,8-10H,6-7H2,1H3,(H,17,20)

InChI Key

LYQKHUHFPBAQKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00372300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.46

Polar Surface Area

106.218

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 8012-4309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4309?
Check Price and Availability of 8012-4309, 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 8012-4309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4309
  • 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 8012-4309 available by request