C730-0562 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoacetamide

C730-0562 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoacetamide
C730-0562 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0562
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,2-dimethyl-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

C730-0562

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(12-dimethyl-1H-indol-3-yl)-2-oxoacetamide

SMILES

Cc1c(C(C(NCc(cc2)cc3c2OCO3)=O)=O)c(cccc2)c2n1C

InChI

InChI=1S/C20H18N2O4/c1-12-18(14-5-3-4-6-15(14)22(12)2)19(23)20(24)21-10-13-7-8-16-17(9-13)26-11-25-16/h3-9H,10-11H2,1-2H3,(H,21,24)

InChI Key

SGICPPJSOULDFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.688

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-3.17

Polar Surface Area

57.788

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C730-0562 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C730-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0562?
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What is the minimum amount of C730-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0562
  • 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 C730-0562 available by request