F133-0123 Screening compound: N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-2-methyl-3-nitrobenzamide

F133-0123 Screening compound: N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-2-methyl-3-nitrobenzamide
F133-0123 Screening compound: N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-2-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F133-0123
N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-2-methyl-3-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

F133-0123

Molecular Formula

C20H18N4O5S (C20 H18 N4 O5 S)

Compound Name

N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-2-methyl-3-nitrobenzamide

IUPAC name

N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}-2-methyl-3-nitrobenzamide

SMILES

CCS(c(cc1)nnc1-c(cc1)ccc1NC(c1c(C)c([N+]([O-])=O)ccc1)=O)(=O)=O

InChI

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

InChI Key

SUJGQSZROCAVOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535191

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

3.027

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.81

Polar Surface Area

106.693

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F133-0123 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 F133-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F133-0123?
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What is the minimum amount of F133-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F133-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F133-0123
  • 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 F133-0123 available by request