M100-0069 Screening compound: 6-{5-[(2-methylpiperidino)sulfonyl]-3-thienyl}-3(2H)-pyridazinone

M100-0069 Screening compound: 6-{5-[(2-methylpiperidino)sulfonyl]-3-thienyl}-3(2H)-pyridazinone
M100-0069 Screening compound: 6-{5-[(2-methylpiperidino)sulfonyl]-3-thienyl}-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound M100-0069
6-{5-[(2-methylpiperidino)sulfonyl]-3-thienyl}-3(2H)-pyridazinone

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

M100-0069

Molecular Formula

C14H17N3O3S2 (C14 H17 N3 O3 S2)

Compound Name

6-{5-[(2-methylpiperidino)sulfonyl]-3-thienyl}-3(2H)-pyridazinone

IUPAC name

6-{5-[(2-methylpiperidin-1-yl)sulfonyl]thiophen-3-yl}-23-dihydropyridazin-3-one

SMILES

CC(CCCC1)N1S(c1cc(C(C=C2)=NNC2=O)cs1)(=O)=O

InChI

InChI=1S/C14H17N3O3S2/c1-10-4-2-3-7-17(10)22(19,20)14-8-11(9-21-14)12-5-6-13(18)16-15-12/h5-6,8-10H,2-4,7H2,1H3,(H,16,18)/t10-/m0/s1

InChI Key

MTCXBKGHEVSAHU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD27496689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.318

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.60

Polar Surface Area

70.167

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

M100-0069 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M100-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M100-0069?
Check Price and Availability of M100-0069, 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 M100-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M100-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M100-0069
  • 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 M100-0069 available by request