CM3123-0782 Screening compound: N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzene-1-sulfonamide

CM3123-0782 Screening compound: N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzene-1-sulfonamide
CM3123-0782 Screening compound: N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3123-0782
N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)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

CM3123-0782

Molecular Formula

C15H15F3N4O3S (C15 H15 F3 N4 O3 S)

Compound Name

N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-[1-(6-oxo-16-dihydropyridazin-3-yl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzene-1-sulfonamide

SMILES

O=C(C=C1)NN=C1N(CC1)CC1NS(c1c(C(F)(F)F)cccc1)(=O)=O

InChI

InChI=1S/C15H15F3N4O3S/c16-15(17,18)11-3-1-2-4-12(11)26(24,25)21-10-7-8-22(9-10)13-5-6-14(23)20-19-13/h1-6,10,21H,7-9H2,(H,20,23)/t10-/m0/s1

InChI Key

JBLCXSISJJJZDU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD30466072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.773

Distribution Coefficient, logD

1.745

Water Solubility, LogSw

-2.70

Polar Surface Area

82.756

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

CM3123-0782 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)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM3123-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3123-0782?
Check Price and Availability of CM3123-0782, 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 CM3123-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3123-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3123-0782
  • 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 CM3123-0782 available by request