6948-4562 Screening compound: methyl 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]acetate

6948-4562 Screening compound: methyl 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]acetate
6948-4562 Screening compound: methyl 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4562
methyl 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]acetate

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

6948-4562

Molecular Formula

C16H13NO4 (C16 H13 NO4)

Compound Name

methyl 2-[3-(furan-2-carbonyl)-1H-indol-1-yl]acetate

IUPAC name

n/a

SMILES

COC(Cn1c(cccc2)c2c(C(c2ccco2)=O)c1)=O

InChI

InChI=1S/C16H13NO4/c1-20-15(18)10-17-9-12(11-5-2-3-6-13(11)17)16(19)14-7-4-8-21-14/h2-9H,10H2,1H3

InChI Key

RFVVFVUFPLPJCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04403392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

2.227

Water Solubility, LogSw

-2.66

Polar Surface Area

44.866

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

6948-4562 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6948-4562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4562?
Check Price and Availability of 6948-4562, 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 6948-4562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4562
  • 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 6948-4562 available by request