C794-0356 Screening compound: N~4~-(2-chlorobenzyl)-1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-4-piperidinecarboxamide

C794-0356 Screening compound: N~4~-(2-chlorobenzyl)-1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-4-piperidinecarboxamide
C794-0356 Screening compound: N~4~-(2-chlorobenzyl)-1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0356
N~4~-(2-chlorobenzyl)-1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-4-piperidinecarboxamide

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

C794-0356

Molecular Formula

C25H24ClN3O3 (C25 H24 ClN3 O3)

Compound Name

N~4~-(2-chlorobenzyl)-1-[(1-methyl-1H-[1]benzofuro[3,2-b]pyrrol-2-yl)carbonyl]-4-piperidinecarboxamide

IUPAC name

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

SMILES

Cn(c(C(N(CC1)CCC1C(NCc(cccc1)c1Cl)=O)=O)c1)c2c1oc1c2cccc1

InChI

InChI=1S/C25H24ClN3O3/c1-28-20(14-22-23(28)18-7-3-5-9-21(18)32-22)25(31)29-12-10-16(11-13-29)24(30)27-15-17-6-2-4-8-19(17)26/h2-9,14,16H,10-13,15H2,1H3,(H,27,30)

InChI Key

NUBYSRNZXUDKBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

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

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.40

Polar Surface Area

50.798

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C794-0356 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C794-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0356?
Check Price and Availability of C794-0356, 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 C794-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0356
  • 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 C794-0356 available by request