D399-2839 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

D399-2839 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
D399-2839 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D399-2839
N-(2H-1,3-benzodioxol-5-yl)-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

D399-2839

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc2c1OCO2)N(CCC1)C1c1cccs1

InChI

InChI=1S/C16H16N2O3S/c19-16(17-11-5-6-13-14(9-11)21-10-20-13)18-7-1-3-12(18)15-4-2-8-22-15/h2,4-6,8-9,12H,1,3,7,10H2,(H,17,19)/t12-/m0/s1

InChI Key

OZVXWCHCOMEZMZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD10702510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.30

Polar Surface Area

43.630

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

D399-2839 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D399-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D399-2839?
Check Price and Availability of D399-2839, 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 D399-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D399-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D399-2839
  • 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 D399-2839 available by request