C794-0108 Screening compound: methyl 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C794-0108 Screening compound: methyl 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C794-0108 Screening compound: methyl 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0108
methyl 1-[2-(4-chloro-2-fluoroanilino)-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

C794-0108

Molecular Formula

C20H14ClFN2O4 (C20 H14 ClFN2 O4)

Compound Name

methyl 1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

IUPAC name

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

SMILES

COC(c1cc(oc2c3cccc2)c3n1CC(Nc(ccc(Cl)c1)c1F)=O)=O

InChI

InChI=1S/C20H14ClFN2O4/c1-27-20(26)15-9-17-19(12-4-2-3-5-16(12)28-17)24(15)10-18(25)23-14-7-6-11(21)8-13(14)22/h2-9H,10H2,1H3,(H,23,25)

InChI Key

ARPKGBJVTDBHRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.670

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.89

Polar Surface Area

52.280

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C794-0108 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0108?
Check Price and Availability of C794-0108, 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 C794-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0108
  • 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 C794-0108 available by request