M759-2513 Screening compound: N-[1-(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonyl)-3-azetanyl]-N-(3-pyridylmethyl)methanesulfonamide

M759-2513 Screening compound: N-[1-(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonyl)-3-azetanyl]-N-(3-pyridylmethyl)methanesulfonamide
M759-2513 Screening compound: N-[1-(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonyl)-3-azetanyl]-N-(3-pyridylmethyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M759-2513
N-[1-(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonyl)-3-azetanyl]-N-(3-pyridylmethyl)methanesulfonamide

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

M759-2513

Molecular Formula

C22H23N5O3S (C22 H23 N5 O3 S)

Compound Name

N-[1-(4,5-dihydro-1H-benzo[g]indazol-3-ylcarbonyl)-3-azetanyl]-N-(3-pyridylmethyl)methanesulfonamide

IUPAC name

n/a

SMILES

CS(N(Cc1cnccc1)C(C1)CN1C(c1n[nH]c-2c1CCc1c2cccc1)=O)(=O)=O

InChI

InChI=1S/C22H23N5O3S/c1-31(29,30)27(12-15-5-4-10-23-11-15)17-13-26(14-17)22(28)21-19-9-8-16-6-2-3-7-18(16)20(19)24-25-21/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,25)

InChI Key

SFLJENYKRJFPBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.38

Polar Surface Area

81.603

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M759-2513 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M759-2513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M759-2513?
Check Price and Availability of M759-2513, 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 M759-2513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M759-2513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M759-2513
  • 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 M759-2513 available by request