3461-2297 Screening compound: N6-(3-METHYLPHENYL)-2-OXO-1

3461-2297 Screening compound: N6-(3-METHYLPHENYL)-2-OXO-1
3461-2297 Screening compound: N6-(3-METHYLPHENYL)-2-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 3461-2297
N6-(3-METHYLPHENYL)-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

3461-2297

Molecular Formula

C18H14N2O3S (C18 H14 N2 O3 S)

Compound Name

N6-(3-METHYLPHENYL)-2-OXO-1

IUPAC name

n/a

SMILES

Cc1cccc(NS(c(c2cccc3c22)ccc2NC3=O)(=O)=O)c1

InChI

InChI=1S/C18H14N2O3S/c1-11-4-2-5-12(10-11)20-24(22,23)16-9-8-15-17-13(16)6-3-7-14(17)18(21)19-15/h2-10,20H,1H3,(H,19,21)

InChI Key

BQDNDAHWTBEZPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02731111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

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

3.519

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.18

Polar Surface Area

65.860

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3461-2297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3461-2297?
Check Price and Availability of 3461-2297, 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 3461-2297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3461-2297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3461-2297
  • 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 3461-2297 available by request