M100-0085 Screening compound: 6-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophen-3-yl]-2,3-dihydropyridazin-3-one

M100-0085 Screening compound: 6-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophen-3-yl]-2,3-dihydropyridazin-3-one
M100-0085 Screening compound: 6-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophen-3-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M100-0085
6-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophen-3-yl]-2,3-dihydropyridazin-3-one

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

M100-0085

Molecular Formula

C17H15N3O3S2 (C17 H15 N3 O3 S2)

Compound Name

6-[5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)thiophen-3-yl]-2,3-dihydropyridazin-3-one

IUPAC name

6-[5-(1234-tetrahydroisoquinoline-2-sulfonyl)thiophen-3-yl]-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)NN=C1c1csc(S(N(CC2)Cc3c2cccc3)(=O)=O)c1

InChI

InChI=1S/C17H15N3O3S2/c21-16-6-5-15(18-19-16)14-9-17(24-11-14)25(22,23)20-8-7-12-3-1-2-4-13(12)10-20/h1-6,9,11H,7-8,10H2,(H,19,21)

InChI Key

TXUPTDZHWGAXKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.46

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

3.015

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.52

Polar Surface Area

69.767

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

M100-0085 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M100-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M100-0085?
Check Price and Availability of M100-0085, 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 M100-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M100-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M100-0085
  • 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 M100-0085 available by request