D399-2783 Screening compound: N-phenyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

D399-2783 Screening compound: N-phenyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
D399-2783 Screening compound: N-phenyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2783
N-phenyl-2-(thiophen-2-yl)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

D399-2783

Molecular Formula

C15H16N2OS (C15 H16 N2 OS)

Compound Name

N-phenyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

IUPAC name

N-phenyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

SMILES

O=C(Nc1ccccc1)N(CCC1)C1c1cccs1

InChI

InChI=1S/C15H16N2OS/c18-15(16-12-6-2-1-3-7-12)17-10-4-8-13(17)14-9-5-11-19-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,16,18)/t13-/m0/s1

InChI Key

KJBFKFRLLIRLTK-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00105608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.894

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-3.39

Polar Surface Area

26.514

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D399-2783 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D399-2783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2783?
Check Price and Availability of D399-2783, 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 D399-2783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2783
  • 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 D399-2783 available by request