D399-2820 Screening compound: N-benzyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

D399-2820 Screening compound: N-benzyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
D399-2820 Screening compound: N-benzyl-2-(thiophen-2-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2820
N-benzyl-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

D399-2820

Molecular Formula

C16H18N2OS (C16 H18 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(NCc1ccccc1)N(CCC1)C1c1cccs1

InChI

InChI=1S/C16H18N2OS/c19-16(17-12-13-6-2-1-3-7-13)18-10-4-8-14(18)15-9-5-11-20-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,17,19)/t14-/m0/s1

InChI Key

ASJLUWUBEDKPHW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10703022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.848

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-3.19

Polar Surface Area

27.836

Acid Dissociation Constant (pKa)

15.05

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D399-2820 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D399-2820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2820?
Check Price and Availability of D399-2820, 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 D399-2820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2820
  • 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 D399-2820 available by request