2216-0068 Screening compound: N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide

2216-0068 Screening compound: N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide
2216-0068 Screening compound: N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2216-0068
N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide

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

2216-0068

Molecular Formula

C18H20N2O4 (C18 H20 N2 O4)

Compound Name

N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide

IUPAC name

N-(3-butoxyphenyl)-3-methyl-4-nitrobenzamide

SMILES

CCCCOc1cccc(NC(c(cc2)cc(C)c2[N+]([O-])=O)=O)c1

InChI

InChI=1S/C18H20N2O4/c1-3-4-10-24-16-7-5-6-15(12-16)19-18(21)14-8-9-17(20(22)23)13(2)11-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)

InChI Key

CQUWMEVEBRARMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.956

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.67

Polar Surface Area

63.828

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 2216-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2216-0068?
Check Price and Availability of 2216-0068, 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 2216-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2216-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2216-0068
  • 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 2216-0068 available by request