4376-0279 Screening compound: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

4376-0279 Screening compound: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline
4376-0279 Screening compound: 5-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4376-0279
5-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

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

4376-0279

Molecular Formula

C22H21FN4O4 (C22 H21 FN4 O4)

Compound Name

5-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

IUPAC name

5-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

SMILES

[O-][N+](c(ccc(N(CC1)CCN1C(c1cccc(F)c1)=O)c1)c1NCc1ccco1)=O

InChI

InChI=1S/C22H21FN4O4/c23-17-4-1-3-16(13-17)22(28)26-10-8-25(9-11-26)18-6-7-21(27(29)30)20(14-18)24-15-19-5-2-12-31-19/h1-7,12-14,24H,8-11,15H2

InChI Key

VLQPLZZTZGAEKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.669

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-4.09

Polar Surface Area

70.513

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4376-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4376-0279?
Check Price and Availability of 4376-0279, 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 4376-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4376-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4376-0279
  • 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 4376-0279 available by request