3461-2188 Screening compound: N6-MESITYL-2-OXO-1

3461-2188 Screening compound: N6-MESITYL-2-OXO-1
3461-2188 Screening compound: N6-MESITYL-2-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2188
N6-MESITYL-2-OXO-1

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

3461-2188

Molecular Formula

C20H18N2O3S (C20 H18 N2 O3 S)

Compound Name

N6-MESITYL-2-OXO-1

IUPAC name

n/a

SMILES

Cc(cc1C)cc(C)c1NS(c(c1cccc2c11)ccc1NC2=O)(=O)=O

InChI

InChI=1S/C20H18N2O3S/c1-11-9-12(2)19(13(3)10-11)22-26(24,25)17-8-7-16-18-14(17)5-4-6-15(18)20(23)21-16/h4-10,22H,1-3H3,(H,21,23)

InChI Key

DKGNOACUXQGVLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.794

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-4.24

Polar Surface Area

64.464

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3461-2188 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3461-2188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2188?
Check Price and Availability of 3461-2188, 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 3461-2188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2188
  • 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 3461-2188 available by request