CM2843-5767 Screening compound: 3-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole

CM2843-5767 Screening compound: 3-{1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl}-4-(propan-2-yl)-4H-1,2,4-triazole
CM2843-5767 Screening compound: 3-{1-[3-(4-fluorophenyl)-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 CM2843-5767
3-{1-[3-(4-fluorophenyl)-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

CM2843-5767

Molecular Formula

C19H21FN6O (C19 H21 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(C(CCC2)N2C(c2cc(-c(cc3)ccc3F)n[nH]2)=O)nnc1

InChI

InChI=1S/C19H21FN6O/c1-12(2)26-11-21-24-18(26)17-4-3-9-25(17)19(27)16-10-15(22-23-16)13-5-7-14(20)8-6-13/h5-8,10-12,17H,3-4,9H2,1-2H3,(H,22,23)/t17-/m0/s1

InChI Key

AKZNETZXKVBKET-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30465444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

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

2.522

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-2.84

Polar Surface Area

64.584

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

CM2843-5767 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with CM2843-5767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2843-5767?
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What is the minimum amount of CM2843-5767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2843-5767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2843-5767
  • 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 CM2843-5767 available by request