D399-3616 Screening compound: 2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

D399-3616 Screening compound: 2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
D399-3616 Screening compound: 2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-3616
2-(4-fluorophenyl)-N-(3-methoxypropyl)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

D399-3616

Molecular Formula

C15H21FN2O2 (C15 H21 FN2 O2)

Compound Name

2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

IUPAC name

2-(4-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

SMILES

COCCCNC(N(CCC1)C1c(cc1)ccc1F)=O

InChI

InChI=1S/C15H21FN2O2/c1-20-11-3-9-17-15(19)18-10-2-4-14(18)12-5-7-13(16)8-6-12/h5-8,14H,2-4,9-11H2,1H3,(H,17,19)/t14-/m0/s1

InChI Key

KLTRZUGWGYNHFV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27583810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.34

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

2.406

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-2.79

Polar Surface Area

35.274

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

D399-3616 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D399-3616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-3616?
Check Price and Availability of D399-3616, 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 D399-3616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-3616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-3616
  • 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 D399-3616 available by request