C794-0077 Screening compound: methyl 1-(2-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C794-0077 Screening compound: methyl 1-(2-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C794-0077 Screening compound: methyl 1-(2-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0077
methyl 1-(2-fluorobenzyl)-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

C794-0077

Molecular Formula

C19H14FNO3 (C19 H14 FNO3)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cc(oc2c3cccc2)c3n1Cc(cccc1)c1F)=O

InChI

InChI=1S/C19H14FNO3/c1-23-19(22)15-10-17-18(13-7-3-5-9-16(13)24-17)21(15)11-12-6-2-4-8-14(12)20/h2-10H,11H2,1H3

InChI Key

AZOAVSSEMGGCMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.87

Polar Surface Area

29.829

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C794-0077 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C794-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0077?
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What is the minimum amount of C794-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0077
  • 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 C794-0077 available by request