CM3759-3780 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

CM3759-3780 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine
CM3759-3780 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3759-3780
1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

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

CM3759-3780

Molecular Formula

C20H25ClFN3O2 (C20 H25 ClFN3 O2)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]piperidine

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-4-[5-(oxan-4-yl)-124-oxadiazol-3-yl]piperidine

SMILES

CC1(CCN(Cc(c(F)ccc2)c2Cl)CC1)c1noc(C2CCOCC2)n1

InChI

InChI=1S/C20H25ClFN3O2/c1-20(19-23-18(27-24-19)14-5-11-26-12-6-14)7-9-25(10-8-20)13-15-16(21)3-2-4-17(15)22/h2-4,14H,5-13H2,1H3

InChI Key

OMBFIUMNMBDGOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.259

Water Solubility, LogSw

-4.52

Polar Surface Area

43.477

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

CM3759-3780 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with CM3759-3780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3759-3780?
Check Price and Availability of CM3759-3780, 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 CM3759-3780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3759-3780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3759-3780
  • 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 CM3759-3780 available by request