CM2843-7895 Screening compound: 4-({3-[1-(3,4-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazol-4-yl}methyl)pyridine

CM2843-7895 Screening compound: 4-({3-[1-(3,4-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazol-4-yl}methyl)pyridine
CM2843-7895 Screening compound: 4-({3-[1-(3,4-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazol-4-yl}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2843-7895
4-({3-[1-(3,4-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazol-4-yl}methyl)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

CM2843-7895

Molecular Formula

C20H23N5O4S (C20 H23 N5 O4 S)

Compound Name

4-({3-[1-(3,4-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-4H-1,2,4-triazol-4-yl}methyl)pyridine

IUPAC name

4-({3-[1-(34-dimethoxybenzenesulfonyl)pyrrolidin-2-yl]-4H-124-triazol-4-yl}methyl)pyridine

SMILES

COc(ccc(S(N(CCC1)C1c1nncn1Cc1ccncc1)(=O)=O)c1)c1OC

InChI

InChI=1S/C20H23N5O4S/c1-28-18-6-5-16(12-19(18)29-2)30(26,27)25-11-3-4-17(25)20-23-22-14-24(20)13-15-7-9-21-10-8-15/h5-10,12,14,17H,3-4,11,13H2,1-2H3/t17-/m0/s1

InChI Key

KDAYAGOWBUMLSO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30459577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.639

Distribution Coefficient, logD

0.639

Water Solubility, LogSw

-2.02

Polar Surface Area

81.560

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

CM2843-7895 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Immunological Library (6760 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with CM2843-7895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2843-7895?
Check Price and Availability of CM2843-7895, 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 CM2843-7895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2843-7895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2843-7895
  • 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 CM2843-7895 available by request