F153-0431 Screening compound: N-benzyl-2-chloro-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide

F153-0431 Screening compound: N-benzyl-2-chloro-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide
F153-0431 Screening compound: N-benzyl-2-chloro-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F153-0431
N-benzyl-2-chloro-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide

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

F153-0431

Molecular Formula

C17H14ClN3O3S (C17 H14 ClN3 O3 S)

Compound Name

N-benzyl-2-chloro-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide

IUPAC name

N-benzyl-2-chloro-5-(6-oxo-16-dihydropyridazin-3-yl)benzene-1-sulfonamide

SMILES

O=C(C=C1)NN=C1c(cc1)cc(S(NCc2ccccc2)(=O)=O)c1Cl

InChI

InChI=1S/C17H14ClN3O3S/c18-14-7-6-13(15-8-9-17(22)21-20-15)10-16(14)25(23,24)19-11-12-4-2-1-3-5-12/h1-10,19H,11H2,(H,21,22)

InChI Key

YAFSMMZHRZYWAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.155

Distribution Coefficient, logD

3.153

Water Solubility, LogSw

-3.65

Polar Surface Area

79.134

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

F153-0431 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F153-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F153-0431?
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What is the minimum amount of F153-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F153-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F153-0431
  • 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 F153-0431 available by request