CM4369-4808 Screening compound: 2-(3-METHYL-1H-PYRAZOL-1-YL)-1-[4-(5-METHYL-2-TETRAHYDRO-2-FURANYL-1H-IMIDAZOL-1-YL)PIPERIDINO]-1-ETHANONE

CM4369-4808 Screening compound: 2-(3-METHYL-1H-PYRAZOL-1-YL)-1-[4-(5-METHYL-2-TETRAHYDRO-2-FURANYL-1H-IMIDAZOL-1-YL)PIPERIDINO]-1-ETHANONE
CM4369-4808 Screening compound: 2-(3-METHYL-1H-PYRAZOL-1-YL)-1-[4-(5-METHYL-2-TETRAHYDRO-2-FURANYL-1H-IMIDAZOL-1-YL)PIPERIDINO]-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4369-4808
2-(3-METHYL-1H-PYRAZOL-1-YL)-1-[4-(5-METHYL-2-TETRAHYDRO-2-FURANYL-1H-IMIDAZOL-1-YL)PIPERIDINO]-1-ETHANONE

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

CM4369-4808

Molecular Formula

C19H27N5O2 (C19 H27 N5 O2)

Compound Name

2-(3-METHYL-1H-PYRAZOL-1-YL)-1-[4-(5-METHYL-2-TETRAHYDRO-2-FURANYL-1H-IMIDAZOL-1-YL)PIPERIDINO]-1-ETHANONE

IUPAC name

2-(3-methyl-1H-pyrazol-1-yl)-1-{4-[5-methyl-2-(oxolan-2-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one

SMILES

Cc1cnc(C2OCCC2)n1C(CC1)CCN1C(Cn1nc(C)cc1)=O

InChI

InChI=1S/C19H27N5O2/c1-14-5-10-23(21-14)13-18(25)22-8-6-16(7-9-22)24-15(2)12-20-19(24)17-4-3-11-26-17/h5,10,12,16-17H,3-4,6-9,11,13H2,1-2H3/t17-/m0/s1

InChI Key

KAPKYWDYDJPQCT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30467443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.580

Distribution Coefficient, logD

-1.308

Water Solubility, LogSw

-1.19

Polar Surface Area

50.535

Acid Dissociation Constant (pKa)

23.40

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

CM4369-4808 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)

Soluble Diversity Library (15920 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 CM4369-4808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4369-4808?
Check Price and Availability of CM4369-4808, 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 CM4369-4808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4369-4808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4369-4808
  • 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 CM4369-4808 available by request