C794-0249 Screening compound: N~2~-(3,4-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C794-0249 Screening compound: N~2~-(3,4-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C794-0249 Screening compound: N~2~-(3,4-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0249
N~2~-(3,4-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-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

C794-0249

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

N~2~-(3,4-dimethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

IUPAC name

N-[(34-dimethoxyphenyl)methyl]-3-methyl-7-oxa-3-azatricyclo[6.4.0.0^{26}]dodeca-1(12)2(6)4810-pentaene-4-carboxamide

SMILES

Cn(c(C(NCc(cc1)cc(OC)c1OC)=O)c1)c2c1oc1c2cccc1

InChI

InChI=1S/C21H20N2O4/c1-23-15(11-19-20(23)14-6-4-5-7-16(14)27-19)21(24)22-12-13-8-9-17(25-2)18(10-13)26-3/h4-11H,12H2,1-3H3,(H,22,24)

InChI Key

GLYRDWPDDMKFDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.78

Polar Surface Area

49.410

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C794-0249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C794-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0249?
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What is the minimum amount of C794-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0249
  • 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 C794-0249 available by request