0054-0231 Screening compound: N-(3,6-diethyl-2,4-dinitrophenyl)acetamide

0054-0231 Screening compound: N-(3,6-diethyl-2,4-dinitrophenyl)acetamide
0054-0231 Screening compound: N-(3,6-diethyl-2,4-dinitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0231
N-(3,6-diethyl-2,4-dinitrophenyl)acetamide

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

0054-0231

Molecular Formula

C12H15N3O5 (C12 H15 N3 O5)

Compound Name

N-(3,6-diethyl-2,4-dinitrophenyl)acetamide

IUPAC name

N-(36-diethyl-24-dinitrophenyl)acetamide

SMILES

CCc1cc([N+]([O-])=O)c(CC)c([N+]([O-])=O)c1NC(C)=O

InChI

InChI=1S/C12H15N3O5/c1-4-8-6-10(14(17)18)9(5-2)12(15(19)20)11(8)13-7(3)16/h6H,4-5H2,1-3H3,(H,13,16)

InChI Key

SITDJVLYCVYYTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00812089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

1.280

Water Solubility, LogSw

-2.73

Polar Surface Area

87.965

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

-6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with 0054-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0231?
Check Price and Availability of 0054-0231, 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 0054-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0231
  • 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 0054-0231 available by request