F133-0074 Screening compound: N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide

F133-0074 Screening compound: N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide
F133-0074 Screening compound: N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F133-0074
N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide

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

F133-0074

Molecular Formula

C22H22N4O5S2 (C22 H22 N4 O5 S2)

Compound Name

N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide

IUPAC name

N-[4-(6-methanesulfonylpyridazin-3-yl)phenyl]-4-(pyrrolidine-1-sulfonyl)benzamide

SMILES

CS(c(cc1)nnc1-c(cc1)ccc1NC(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O)(=O)=O

InChI

InChI=1S/C22H22N4O5S2/c1-32(28,29)21-13-12-20(24-25-21)16-4-8-18(9-5-16)23-22(27)17-6-10-19(11-7-17)33(30,31)26-14-2-3-15-26/h4-13H,2-3,14-15H2,1H3,(H,23,27)

InChI Key

IWCYPUJQACEJAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09005260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.70

Polar Surface Area

106.402

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F133-0074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F133-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F133-0074?
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What is the minimum amount of F133-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F133-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F133-0074
  • 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 F133-0074 available by request