8019-4878 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

8019-4878 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
8019-4878 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4878
N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-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

8019-4878

Molecular Formula

C13H14N2O4 (C13 H14 N2 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide

SMILES

CN(CC(C1)C(Nc(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C13H14N2O4/c1-15-6-8(4-12(15)16)13(17)14-9-2-3-10-11(5-9)19-7-18-10/h2-3,5,8H,4,6-7H2,1H3,(H,14,17)/t8-/m1/s1

InChI Key

UJHOKNCMUGDJCY-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD09763950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.216

Distribution Coefficient, logD

0.216

Water Solubility, LogSw

-1.91

Polar Surface Area

57.627

Acid Dissociation Constant (pKa)

10.63

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8019-4878 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8019-4878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4878?
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What is the minimum amount of 8019-4878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4878
  • 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 8019-4878 available by request