4239-0589 Screening compound: N-(2-chlorophenyl)-3-(pyrrolidin-1-yl)propanamide

4239-0589 Screening compound: N-(2-chlorophenyl)-3-(pyrrolidin-1-yl)propanamide
4239-0589 Screening compound: N-(2-chlorophenyl)-3-(pyrrolidin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4239-0589
N-(2-chlorophenyl)-3-(pyrrolidin-1-yl)propanamide

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

4239-0589

Molecular Formula

C13H17ClN2O (C13 H17 ClN2 O)

Compound Name

N-(2-chlorophenyl)-3-(pyrrolidin-1-yl)propanamide

IUPAC name

N-(2-chlorophenyl)-3-(pyrrolidin-1-yl)propanamide

SMILES

O=C(CCN1CCCC1)Nc(cccc1)c1Cl

InChI

InChI=1S/C13H17ClN2O/c14-11-5-1-2-6-12(11)15-13(17)7-10-16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)

InChI Key

ZBPLZZAHSCJHHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02815969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

0.213

Water Solubility, LogSw

-2.57

Polar Surface Area

26.767

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4239-0589 in Drug Discovery

Included in Screening Libraries

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

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4239-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4239-0589?
Check Price and Availability of 4239-0589, 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 4239-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4239-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4239-0589
  • 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 4239-0589 available by request