CM3125-0033 Screening compound: 5-chloro-2-methoxy-N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-3-yl]benzene-1-sulfonamide

CM3125-0033 Screening compound: 5-chloro-2-methoxy-N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-3-yl]benzene-1-sulfonamide
CM3125-0033 Screening compound: 5-chloro-2-methoxy-N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-3-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3125-0033
5-chloro-2-methoxy-N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-3-yl]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

CM3125-0033

Molecular Formula

C16H19ClN4O4S (C16 H19 ClN4 O4 S)

Compound Name

5-chloro-2-methoxy-N-[1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidin-3-yl]benzene-1-sulfonamide

IUPAC name

5-chloro-2-methoxy-N-[1-(6-oxo-16-dihydropyridazin-3-yl)piperidin-3-yl]benzene-1-sulfonamide

SMILES

COc(ccc(Cl)c1)c1S(NC(CCC1)CN1C(C=C1)=NNC1=O)(=O)=O

InChI

InChI=1S/C16H19ClN4O4S/c1-25-13-5-4-11(17)9-14(13)26(23,24)20-12-3-2-8-21(10-12)15-6-7-16(22)19-18-15/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,19,22)/t12-/m0/s1

InChI Key

PXXOEGQUZNNGAN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD30465499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.87

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.638

Distribution Coefficient, logD

1.610

Water Solubility, LogSw

-2.92

Polar Surface Area

90.021

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

CM3125-0033 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 CM3125-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3125-0033?
Check Price and Availability of CM3125-0033, 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 CM3125-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3125-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3125-0033
  • 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 CM3125-0033 available by request