5645-0118 Screening compound: 1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-(8-QUINOLYLOXY)-1-ETHANONE

5645-0118 Screening compound: 1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-(8-QUINOLYLOXY)-1-ETHANONE
5645-0118 Screening compound: 1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-(8-QUINOLYLOXY)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0118
1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-(8-QUINOLYLOXY)-1-ETHANONE

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

5645-0118

Molecular Formula

C21H18N2O2 (C21 H18 N2 O2)

Compound Name

1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-(8-QUINOLYLOXY)-1-ETHANONE

IUPAC name

1-(23-dimethyl-1H-indol-1-yl)-2-(quinolin-8-yloxy)ethan-1-one

SMILES

Cc1c(C)n(C(COc2cccc3cccnc23)=O)c2c1cccc2

InChI

InChI=1S/C21H18N2O2/c1-14-15(2)23(18-10-4-3-9-17(14)18)20(24)13-25-19-11-5-7-16-8-6-12-22-21(16)19/h3-12H,13H2,1-2H3

InChI Key

BQSUCNNPPFKOOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.39

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

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.26

Polar Surface Area

31.970

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

5645-0118 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5645-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0118?
Check Price and Availability of 5645-0118, 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 5645-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0118
  • 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 5645-0118 available by request