CM2843-5952 Screening compound: 3-{1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole

CM2843-5952 Screening compound: 3-{1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole
CM2843-5952 Screening compound: 3-{1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2843-5952
3-{1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole

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

CM2843-5952

Molecular Formula

C20H24N6O (C20 H24 N6 O)

Compound Name

3-{1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole

IUPAC name

3-{1-[3-(2-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-124-triazole

SMILES

CC(C)n1c(C(CCC2)N2C(c2cc(-c3c(C)cccc3)n[nH]2)=O)nnc1

InChI

InChI=1S/C20H24N6O/c1-13(2)26-12-21-24-19(26)18-9-6-10-25(18)20(27)17-11-16(22-23-17)15-8-5-4-7-14(15)3/h4-5,7-8,11-13,18H,6,9-10H2,1-3H3,(H,22,23)/t18-/m0/s1

InChI Key

YDDUUIYWBAVAHE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD30465920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.553

Distribution Coefficient, logD

2.553

Water Solubility, LogSw

-2.95

Polar Surface Area

64.584

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

CM2843-5952 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 CM2843-5952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2843-5952?
Check Price and Availability of CM2843-5952, 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 CM2843-5952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2843-5952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2843-5952
  • 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 CM2843-5952 available by request