1514-0413 Screening compound: N-(4-butoxyphenyl)-4-chloro-3-nitrobenzamide

1514-0413 Screening compound: N-(4-butoxyphenyl)-4-chloro-3-nitrobenzamide
1514-0413 Screening compound: N-(4-butoxyphenyl)-4-chloro-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1514-0413
N-(4-butoxyphenyl)-4-chloro-3-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

1514-0413

Molecular Formula

C17H17ClN2O4 (C17 H17 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C17H17ClN2O4/c1-2-3-10-24-14-7-5-13(6-8-14)19-17(21)12-4-9-15(18)16(11-12)20(22)23/h4-9,11H,2-3,10H2,1H3,(H,19,21)

InChI Key

FLBDQNKSOCSZBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.79

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

4.668

Distribution Coefficient, logD

4.652

Water Solubility, LogSw

-4.91

Polar Surface Area

63.828

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 1514-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1514-0413?
Check Price and Availability of 1514-0413, 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 1514-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1514-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1514-0413
  • 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 1514-0413 available by request