F132-0151 Screening compound: N-{3-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-3-methyl-4-nitrobenzamide

F132-0151 Screening compound: N-{3-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-3-methyl-4-nitrobenzamide
F132-0151 Screening compound: N-{3-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-3-methyl-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F132-0151
N-{3-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-3-methyl-4-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

F132-0151

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

N-{3-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-3-methyl-4-nitrobenzamide

IUPAC name

N-{3-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-3-methyl-4-nitrobenzamide

SMILES

CCS(c(cc1)nnc1-c1cc(NC(c(cc2)cc(C)c2[N+]([O-])=O)=O)ccc1)(=O)=O

InChI

InChI=1S/C20H18N4O5S/c1-3-30(28,29)19-10-8-17(22-23-19)14-5-4-6-16(12-14)21-20(25)15-7-9-18(24(26)27)13(2)11-15/h4-12H,3H2,1-2H3,(H,21,25)

InChI Key

OYRWGSKLUKNGNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.45

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.87

Polar Surface Area

106.693

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F132-0151 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F132-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F132-0151?
Check Price and Availability of F132-0151, 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 F132-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F132-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F132-0151
  • 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 F132-0151 available by request