2260-1037 Screening compound: N-[(4-fluorophenyl)methyl]-4-methyl-3,5-dinitrobenzamide

2260-1037 Screening compound: N-[(4-fluorophenyl)methyl]-4-methyl-3,5-dinitrobenzamide
2260-1037 Screening compound: N-[(4-fluorophenyl)methyl]-4-methyl-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-1037
N-[(4-fluorophenyl)methyl]-4-methyl-3,5-dinitrobenzamide

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

2260-1037

Molecular Formula

C15H12FN3O5 (C15 H12 FN3 O5)

Compound Name

N-[(4-fluorophenyl)methyl]-4-methyl-3,5-dinitrobenzamide

IUPAC name

N-[(4-fluorophenyl)methyl]-4-methyl-35-dinitrobenzamide

SMILES

Cc(c([N+]([O-])=O)cc(C(NCc(cc1)ccc1F)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H12FN3O5/c1-9-13(18(21)22)6-11(7-14(9)19(23)24)15(20)17-8-10-2-4-12(16)5-3-10/h2-7H,8H2,1H3,(H,17,20)

InChI Key

HFYIVXOWTDYRCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01339219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.91

Polar Surface Area

90.813

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2260-1037 in Drug Discovery

Included in Screening Libraries

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 2260-1037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-1037?
Check Price and Availability of 2260-1037, 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 2260-1037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-1037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-1037
  • 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 2260-1037 available by request