S544-0072 Screening compound: N-cyclopentyl-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide

S544-0072 Screening compound: N-cyclopentyl-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide
S544-0072 Screening compound: N-cyclopentyl-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S544-0072
N-cyclopentyl-3-(2-phenoxyethyl)pyrrolidine-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

S544-0072

Molecular Formula

C18H26N2O2 (C18 H26 N2 O2)

Compound Name

N-cyclopentyl-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide

IUPAC name

N-cyclopentyl-3-(2-phenoxyethyl)pyrrolidine-1-carboxamide

SMILES

O=C(NC1CCCC1)N1CC(CCOc2ccccc2)CC1

InChI

InChI=1S/C18H26N2O2/c21-18(19-16-6-4-5-7-16)20-12-10-15(14-20)11-13-22-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,19,21)/t15-/m0/s1

InChI Key

RWCBQOSXXRQFRE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31987472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.009

Distribution Coefficient, logD

4.009

Water Solubility, LogSw

-4.11

Polar Surface Area

34.567

Acid Dissociation Constant (pKa)

17.65

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

S544-0072 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S544-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S544-0072?
Check Price and Availability of S544-0072, 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 S544-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S544-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S544-0072
  • 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 S544-0072 available by request