6948-4583 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(furan-2-carbonyl)-1H-indole

6948-4583 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(furan-2-carbonyl)-1H-indole
6948-4583 Screening compound: 1-[(2-chlorophenyl)methyl]-3-(furan-2-carbonyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4583
1-[(2-chlorophenyl)methyl]-3-(furan-2-carbonyl)-1H-indole

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

6948-4583

Molecular Formula

C20H14ClNO2 (C20 H14 ClNO2)

Compound Name

1-[(2-chlorophenyl)methyl]-3-(furan-2-carbonyl)-1H-indole

IUPAC name

1-[(2-chlorophenyl)methyl]-3-(furan-2-carbonyl)-1H-indole

SMILES

O=C(c1cn(Cc(cccc2)c2Cl)c2c1cccc2)c1ccco1

InChI

InChI=1S/C20H14ClNO2/c21-17-8-3-1-6-14(17)12-22-13-16(15-7-2-4-9-18(15)22)20(23)19-10-5-11-24-19/h1-11,13H,12H2

InChI Key

NIMITGGTERMEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04402587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.863

Distribution Coefficient, logD

4.863

Water Solubility, LogSw

-4.93

Polar Surface Area

24.016

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

6948-4583 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6948-4583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4583?
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What is the minimum amount of 6948-4583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4583
  • 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 6948-4583 available by request