M100-0189 Screening compound: N-methyl-N-(4-methylphenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

M100-0189 Screening compound: N-methyl-N-(4-methylphenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
M100-0189 Screening compound: N-methyl-N-(4-methylphenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M100-0189
N-methyl-N-(4-methylphenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-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

M100-0189

Molecular Formula

C16H15N3O3S2 (C16 H15 N3 O3 S2)

Compound Name

N-methyl-N-(4-methylphenyl)-4-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide

IUPAC name

N-methyl-N-(4-methylphenyl)-4-(6-oxo-16-dihydropyridazin-3-yl)thiophene-2-sulfonamide

SMILES

Cc(cc1)ccc1N(C)S(c1cc(C(C=C2)=NNC2=O)cs1)(=O)=O

InChI

InChI=1S/C16H15N3O3S2/c1-11-3-5-13(6-4-11)19(2)24(21,22)16-9-12(10-23-16)14-7-8-15(20)18-17-14/h3-10H,1-2H3,(H,18,20)

InChI Key

ONJOSHXRJQUEPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

3.260

Water Solubility, LogSw

-3.51

Polar Surface Area

71.215

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

M100-0189 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 M100-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M100-0189?
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What is the minimum amount of M100-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M100-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M100-0189
  • 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 M100-0189 available by request