C794-0259 Screening compound: N~2~-(4-ethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C794-0259 Screening compound: N~2~-(4-ethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C794-0259 Screening compound: N~2~-(4-ethoxybenzyl)-1-methyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0259
N~2~-(4-ethoxybenzyl)-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

C794-0259

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNC(c2cc(oc3c4cccc3)c4n2C)=O)cc1

InChI

InChI=1S/C21H20N2O3/c1-3-25-15-10-8-14(9-11-15)13-22-21(24)17-12-19-20(23(17)2)16-6-4-5-7-18(16)26-19/h4-12H,3,13H2,1-2H3,(H,22,24)

InChI Key

FLTHIPLRXAWGNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.179

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.18

Polar Surface Area

41.273

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C794-0259 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0259?
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What is the minimum amount of C794-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0259
  • 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 C794-0259 available by request