8006-1071 Screening compound: N,N-diethyl-4-methyl-3,5-dinitrobenzamide

8006-1071 Screening compound: N,N-diethyl-4-methyl-3,5-dinitrobenzamide
8006-1071 Screening compound: N,N-diethyl-4-methyl-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1071
N,N-diethyl-4-methyl-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

8006-1071

Molecular Formula

C12H15N3O5 (C12 H15 N3 O5)

Compound Name

N,N-diethyl-4-methyl-3,5-dinitrobenzamide

IUPAC name

NN-diethyl-4-methyl-35-dinitrobenzamide

SMILES

CCN(CC)C(c1cc([N+]([O-])=O)c(C)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C12H15N3O5/c1-4-13(5-2)12(16)9-6-10(14(17)18)8(3)11(7-9)15(19)20/h6-7H,4-5H2,1-3H3

InChI Key

URMZFWSSVYBSTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00426663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.563

Water Solubility, LogSw

-1.77

Polar Surface Area

82.332

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 8006-1071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1071?
Check Price and Availability of 8006-1071, 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 8006-1071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1071
  • 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 8006-1071 available by request