CM4741-0401 Screening compound: 3-{[1-(3-chloro-2-fluorobenzyl)-4-piperidyl]oxy}-1-cyclopentyl-2-pyrrolidinone

CM4741-0401 Screening compound: 3-{[1-(3-chloro-2-fluorobenzyl)-4-piperidyl]oxy}-1-cyclopentyl-2-pyrrolidinone
CM4741-0401 Screening compound: 3-{[1-(3-chloro-2-fluorobenzyl)-4-piperidyl]oxy}-1-cyclopentyl-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4741-0401
3-{[1-(3-chloro-2-fluorobenzyl)-4-piperidyl]oxy}-1-cyclopentyl-2-pyrrolidinone

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

CM4741-0401

Molecular Formula

C21H28ClFN2O2 (C21 H28 ClFN2 O2)

Compound Name

3-{[1-(3-chloro-2-fluorobenzyl)-4-piperidyl]oxy}-1-cyclopentyl-2-pyrrolidinone

IUPAC name

3-({1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl}oxy)-1-cyclopentylpyrrolidin-2-one

SMILES

O=C(C(CC1)OC2CCN(Cc3cccc(Cl)c3F)CC2)N1C1CCCC1

InChI

InChI=1S/C21H28ClFN2O2/c22-18-7-3-4-15(20(18)23)14-24-11-8-17(9-12-24)27-19-10-13-25(21(19)26)16-5-1-2-6-16/h3-4,7,16-17,19H,1-2,5-6,8-14H2/t19-/m0/s1

InChI Key

WJRMJCRPAXTGKZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30459044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.92

Polar Surface Area

26.427

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

CM4741-0401 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 CM4741-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4741-0401?
Check Price and Availability of CM4741-0401, 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 CM4741-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4741-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4741-0401
  • 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 CM4741-0401 available by request