CM4613-6300 Screening compound: 4-(3-benzyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide

CM4613-6300 Screening compound: 4-(3-benzyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide
CM4613-6300 Screening compound: 4-(3-benzyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4613-6300
4-(3-benzyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)-N,N-dimethylpiperidine-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

CM4613-6300

Molecular Formula

C17H25N5O3S (C17 H25 N5 O3 S)

Compound Name

4-(3-benzyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)-N,N-dimethylpiperidine-1-sulfonamide

IUPAC name

4-(3-benzyl-1-methyl-5-oxo-45-dihydro-1H-124-triazol-4-yl)-NN-dimethylpiperidine-1-sulfonamide

SMILES

CN(C)S(N(CC1)CCC1N(C(Cc1ccccc1)=NN1C)C1=O)(=O)=O

InChI

InChI=1S/C17H25N5O3S/c1-19(2)26(24,25)21-11-9-15(10-12-21)22-16(18-20(3)17(22)23)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3

InChI Key

ZQRPAUPAMGCKGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.642

Water Solubility, LogSw

-1.95

Polar Surface Area

67.051

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

CM4613-6300 in Drug Discovery

Included in Screening Libraries

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 CM4613-6300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4613-6300?
Check Price and Availability of CM4613-6300, 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 CM4613-6300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4613-6300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4613-6300
  • 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 CM4613-6300 available by request