C730-0092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C730-0092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
C730-0092 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0092
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

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

C730-0092

Molecular Formula

C18H14N2O4 (C18 H14 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

SMILES

O=C(C(NCc(cc1)cc2c1OCO2)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C18H14N2O4/c21-17(13-9-19-14-4-2-1-3-12(13)14)18(22)20-8-11-5-6-15-16(7-11)24-10-23-15/h1-7,9,19H,8,10H2,(H,20,22)

InChI Key

VOBJAPWVEQZUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04472747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.790

Water Solubility, LogSw

-3.36

Polar Surface Area

65.377

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C730-0092 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C730-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0092?
Check Price and Availability of C730-0092, 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 C730-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0092
  • 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 C730-0092 available by request