5365-0017 Screening compound: methyl 1-benzoyl-1H-indole-3-carboxylate

5365-0017 Screening compound: methyl 1-benzoyl-1H-indole-3-carboxylate
5365-0017 Screening compound: methyl 1-benzoyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5365-0017
methyl 1-benzoyl-1H-indole-3-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

5365-0017

Molecular Formula

C17H13NO3 (C17 H13 NO3)

Compound Name

methyl 1-benzoyl-1H-indole-3-carboxylate

IUPAC name

methyl 1-benzoyl-1H-indole-3-carboxylate

SMILES

COC(c1cn(C(c2ccccc2)=O)c2c1cccc2)=O

InChI

InChI=1S/C17H13NO3/c1-21-17(20)14-11-18(15-10-6-5-9-13(14)15)16(19)12-7-3-2-4-8-12/h2-11H,1H3

InChI Key

VHJJWTSUMOBJLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.19

Polar Surface Area

36.799

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

-6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

5365-0017 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5365-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5365-0017?
Check Price and Availability of 5365-0017, 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 5365-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5365-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5365-0017
  • 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 5365-0017 available by request