C794-0121 Screening compound: methyl 1-[2-(methylanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C794-0121 Screening compound: methyl 1-[2-(methylanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C794-0121 Screening compound: methyl 1-[2-(methylanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0121
methyl 1-[2-(methylanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

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

C794-0121

Molecular Formula

C21H18N2O4 (C21 H18 N2 O4)

Compound Name

methyl 1-[2-(methylanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

IUPAC name

methyl 3-{[methyl(phenyl)carbamoyl]methyl}-7-oxa-3-azatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)4911-pentaene-4-carboxylate

SMILES

CN(C(Cn(c(C(OC)=O)c1)c2c1oc1c2cccc1)=O)c1ccccc1

InChI

InChI=1S/C21H18N2O4/c1-22(14-8-4-3-5-9-14)19(24)13-23-16(21(25)26-2)12-18-20(23)15-10-6-7-11-17(15)27-18/h3-12H,13H2,1-2H3

InChI Key

HSIIATHGVYJXSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.44

Polar Surface Area

44.942

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C794-0121 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C794-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0121?
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What is the minimum amount of C794-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0121
  • 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 C794-0121 available by request