CM4298-0245 Screening compound: 3-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}sulfonyl)pyridine

CM4298-0245 Screening compound: 3-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}sulfonyl)pyridine
CM4298-0245 Screening compound: 3-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}sulfonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4298-0245
3-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}sulfonyl)pyridine

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

CM4298-0245

Molecular Formula

C15H15N5O2S2 (C15 H15 N5 O2 S2)

Compound Name

3-({3-[1-methyl-3-(3-thienyl)-1H-1,2,4-triazol-5-yl]-1-azetanyl}sulfonyl)pyridine

IUPAC name

n/a

SMILES

Cn1nc(-c2cscc2)nc1C(C1)CN1S(c1cnccc1)(=O)=O

InChI

InChI=1S/C15H15N5O2S2/c1-19-15(17-14(18-19)11-4-6-23-10-11)12-8-20(9-12)24(21,22)13-3-2-5-16-7-13/h2-7,10,12H,8-9H2,1H3

InChI Key

DBIRGZALSZKVGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.480

Distribution Coefficient, logD

1.480

Water Solubility, LogSw

-1.61

Polar Surface Area

66.484

Acid Dissociation Constant (pKa)

25.74

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

CM4298-0245 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM4298-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4298-0245?
Check Price and Availability of CM4298-0245, 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 CM4298-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4298-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4298-0245
  • 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 CM4298-0245 available by request