F133-0012 Screening compound: 2-chloro-N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-nitrobenzamide

F133-0012 Screening compound: 2-chloro-N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-nitrobenzamide
F133-0012 Screening compound: 2-chloro-N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F133-0012
2-chloro-N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-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

F133-0012

Molecular Formula

C18H13ClN4O5S (C18 H13 ClN4 O5 S)

Compound Name

2-chloro-N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-nitrobenzamide

IUPAC name

2-chloro-N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-nitrobenzamide

SMILES

CS(c(cc1)nnc1-c(cc1)ccc1NC(c(ccc([N+]([O-])=O)c1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C18H13ClN4O5S/c1-29(27,28)17-9-8-16(21-22-17)11-2-4-12(5-3-11)20-18(24)14-7-6-13(23(25)26)10-15(14)19/h2-10H,1H3,(H,20,24)

InChI Key

RHHKVRCBLDVRDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09008576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.84

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.91

Polar Surface Area

107.706

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

F133-0012 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F133-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F133-0012?
Check Price and Availability of F133-0012, 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 F133-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F133-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F133-0012
  • 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 F133-0012 available by request