C794-0225 Screening compound: N~2~-(3-bromobenzyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C794-0225 Screening compound: N~2~-(3-bromobenzyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
C794-0225 Screening compound: N~2~-(3-bromobenzyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0225
N~2~-(3-bromobenzyl)-1-ethyl-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

C794-0225

Molecular Formula

C20H17BrN2O2 (C20 H17 BrN2 O2)

Compound Name

N~2~-(3-bromobenzyl)-1-ethyl-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

IUPAC name

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

SMILES

CCn(c(C(NCc1cccc(Br)c1)=O)c1)c2c1oc1c2cccc1

InChI

InChI=1S/C20H17BrN2O2/c1-2-23-16(20(24)22-12-13-6-5-7-14(21)10-13)11-18-19(23)15-8-3-4-9-17(15)25-18/h3-11H,2,12H2,1H3,(H,22,24)

InChI Key

RMUNIOVHAXNNHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.35

Polar Surface Area

33.064

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C794-0225 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C794-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0225?
Check Price and Availability of C794-0225, 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 C794-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0225
  • 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 C794-0225 available by request