0054-0197 Screening compound: 1,4-diethyl-2,3-dinitrobenzene

0054-0197 Screening compound: 1,4-diethyl-2,3-dinitrobenzene
0054-0197 Screening compound: 1,4-diethyl-2,3-dinitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0197
1,4-diethyl-2,3-dinitrobenzene

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

0054-0197

Molecular Formula

C10H12N2O4 (C10 H12 N2 O4)

Compound Name

1,4-diethyl-2,3-dinitrobenzene

IUPAC name

14-diethyl-23-dinitrobenzene

SMILES

CCc1ccc(CC)c([N+]([O-])=O)c1[N+]([O-])=O

InChI

InChI=1S/C10H12N2O4/c1-3-7-5-6-8(4-2)10(12(15)16)9(7)11(13)14/h5-6H,3-4H2,1-2H3

InChI Key

UXWJVVKVSOZJLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.846

Distribution Coefficient, logD

3.846

Water Solubility, LogSw

-4.06

Polar Surface Area

65.798

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 0054-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0197?
Check Price and Availability of 0054-0197, 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 0054-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0197
  • 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 0054-0197 available by request