L333-0681 Screening compound: N-(3-fluorophenyl)-4-{2-[(3-methoxyphenyl)formamido]ethyl}piperidine-1-carboxamide

L333-0681 Screening compound: N-(3-fluorophenyl)-4-{2-[(3-methoxyphenyl)formamido]ethyl}piperidine-1-carboxamide
L333-0681 Screening compound: N-(3-fluorophenyl)-4-{2-[(3-methoxyphenyl)formamido]ethyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L333-0681
N-(3-fluorophenyl)-4-{2-[(3-methoxyphenyl)formamido]ethyl}piperidine-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

L333-0681

Molecular Formula

C22H26FN3O3 (C22 H26 FN3 O3)

Compound Name

N-(3-fluorophenyl)-4-{2-[(3-methoxyphenyl)formamido]ethyl}piperidine-1-carboxamide

IUPAC name

N-(3-fluorophenyl)-4-{2-[(3-methoxyphenyl)formamido]ethyl}piperidine-1-carboxamide

SMILES

COc1cccc(C(NCCC(CC2)CCN2C(Nc2cccc(F)c2)=O)=O)c1

InChI

InChI=1S/C22H26FN3O3/c1-29-20-7-2-4-17(14-20)21(27)24-11-8-16-9-12-26(13-10-16)22(28)25-19-6-3-5-18(23)15-19/h2-7,14-16H,8-13H2,1H3,(H,24,27)(H,25,28)

InChI Key

YNEYGAUQSMPDKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-3.85

Polar Surface Area

57.506

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L333-0681 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L333-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L333-0681?
Check Price and Availability of L333-0681, 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 L333-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L333-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L333-0681
  • 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 L333-0681 available by request