0450-0072 Screening compound: {[(2-benzoyl-4-nitrophenyl)carbamoyl]methyl}triethylazanium

0450-0072 Screening compound: {[(2-benzoyl-4-nitrophenyl)carbamoyl]methyl}triethylazanium
0450-0072 Screening compound: {[(2-benzoyl-4-nitrophenyl)carbamoyl]methyl}triethylazanium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0450-0072
{[(2-benzoyl-4-nitrophenyl)carbamoyl]methyl}triethylazanium

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

0450-0072

Molecular Formula

C21H26N3O4 (C21 H26 N3 O4)

Compound Name

{[(2-benzoyl-4-nitrophenyl)carbamoyl]methyl}triethylazanium

IUPAC name

{[(2-benzoyl-4-nitrophenyl)carbamoyl]methyl}triethylazanium

SMILES

CC[N+](CC)(CC)CC(Nc(ccc([N+]([O-])=O)c1)c1C(c1ccccc1)=O)=O

InChI

InChI=1S/C21H25N3O4/c1-4-24(5-2,6-3)15-20(25)22-19-13-12-17(23(27)28)14-18(19)21(26)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3/p+1

InChI Key

DHJJBMFDBLIUBM-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00986469

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.89

Polar Surface Area

69.522

Acid Dissociation Constant (pKa)

7.00

Base Dissociation Constant (pKb)

-6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0450-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0450-0072?
Check Price and Availability of 0450-0072, 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 0450-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0450-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0450-0072
  • 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 0450-0072 available by request