CM2843-1829 Screening compound: N-(4-butylphenyl)-2-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

CM2843-1829 Screening compound: N-(4-butylphenyl)-2-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CM2843-1829 Screening compound: N-(4-butylphenyl)-2-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2843-1829
N-(4-butylphenyl)-2-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

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

CM2843-1829

Molecular Formula

C22H31N5O (C22 H31 N5 O)

Compound Name

N-(4-butylphenyl)-2-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(4-butylphenyl)-2-(4-cyclopentyl-4H-124-triazol-3-yl)pyrrolidine-1-carboxamide

SMILES

CCCCc(cc1)ccc1NC(N(CCC1)C1c1nncn1C1CCCC1)=O

InChI

InChI=1S/C22H31N5O/c1-2-3-7-17-11-13-18(14-12-17)24-22(28)26-15-6-10-20(26)21-25-23-16-27(21)19-8-4-5-9-19/h11-14,16,19-20H,2-10,15H2,1H3,(H,24,28)/t20-/m0/s1

InChI Key

WLAXYLHDKPJIBA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30459539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.12

Polar Surface Area

50.510

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

CM2843-1829 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 CM2843-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2843-1829?
Check Price and Availability of CM2843-1829, 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 CM2843-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2843-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2843-1829
  • 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 CM2843-1829 available by request