C794-0132 Screening compound: methyl 1-(2-chloro-6-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C794-0132 Screening compound: methyl 1-(2-chloro-6-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
C794-0132 Screening compound: methyl 1-(2-chloro-6-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0132
methyl 1-(2-chloro-6-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

C794-0132

Molecular Formula

C19H13ClFNO3 (C19 H13 ClFNO3)

Compound Name

methyl 1-(2-chloro-6-fluorobenzyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

IUPAC name

methyl 3-[(2-chloro-6-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(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C19H13ClFNO3/c1-24-19(23)15-9-17-18(11-5-2-3-8-16(11)25-17)22(15)10-12-13(20)6-4-7-14(12)21/h2-9H,10H2,1H3

InChI Key

XVJFNPPGGKBAQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.77

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

5.074

Distribution Coefficient, logD

5.074

Water Solubility, LogSw

-5.46

Polar Surface Area

29.829

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C794-0132 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C794-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0132?
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What is the minimum amount of C794-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0132
  • 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 C794-0132 available by request