8018-0982 Screening compound: N-[2-(diethylamino)ethyl]-3-methoxy-2,6-dinitroaniline

8018-0982 Screening compound: N-[2-(diethylamino)ethyl]-3-methoxy-2,6-dinitroaniline
8018-0982 Screening compound: N-[2-(diethylamino)ethyl]-3-methoxy-2,6-dinitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0982
N-[2-(diethylamino)ethyl]-3-methoxy-2,6-dinitroaniline

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

8018-0982

Molecular Formula

C13H20N4O5 (C13 H20 N4 O5)

Compound Name

N-[2-(diethylamino)ethyl]-3-methoxy-2,6-dinitroaniline

IUPAC name

N-[2-(diethylamino)ethyl]-3-methoxy-26-dinitroaniline

SMILES

CCN(CC)CCNc(c([N+]([O-])=O)ccc1OC)c1[N+]([O-])=O

InChI

InChI=1S/C13H20N4O5/c1-4-15(5-2)9-8-14-12-10(16(18)19)6-7-11(22-3)13(12)17(20)21/h6-7,14H,4-5,8-9H2,1-3H3

InChI Key

MKYSLJDNGQDUPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

0.823

Water Solubility, LogSw

-2.49

Polar Surface Area

86.092

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 8018-0982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0982?
Check Price and Availability of 8018-0982, 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 8018-0982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0982
  • 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 8018-0982 available by request