4130-5021 Screening compound: N1,N3-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide

4130-5021 Screening compound: N1,N3-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
4130-5021 Screening compound: N1,N3-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5021
N1,N3-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide

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

4130-5021

Molecular Formula

C20H13F2N3O4 (C20 H13 F2 N3 O4)

Compound Name

N1,N3-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide

IUPAC name

N1N3-bis(2-fluorophenyl)-5-nitrobenzene-13-dicarboxamide

SMILES

[O-][N+](c1cc(C(Nc(cccc2)c2F)=O)cc(C(Nc(cccc2)c2F)=O)c1)=O

InChI

InChI=1S/C20H13F2N3O4/c21-15-5-1-3-7-17(15)23-19(26)12-9-13(11-14(10-12)25(28)29)20(27)24-18-8-4-2-6-16(18)22/h1-11H,(H,23,26)(H,24,27)

InChI Key

UKXXKWNQCQLOQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.48

Polar Surface Area

78.407

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4130-5021 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4130-5021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5021?
Check Price and Availability of 4130-5021, 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 4130-5021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5021
  • 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 4130-5021 available by request