1431-0752 Screening compound: N6-BENZYL-2-OXO-1

1431-0752 Screening compound: N6-BENZYL-2-OXO-1
1431-0752 Screening compound: N6-BENZYL-2-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 1431-0752
N6-BENZYL-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

1431-0752

Molecular Formula

C18H14N2O3S (C18 H14 N2 O3 S)

Compound Name

N6-BENZYL-2-OXO-1

IUPAC name

n/a

SMILES

O=C(c1c2c3ccc1)Nc2ccc3S(NCc1ccccc1)(=O)=O

InChI

InChI=1S/C18H14N2O3S/c21-18-14-8-4-7-13-16(10-9-15(20-18)17(13)14)24(22,23)19-11-12-5-2-1-3-6-12/h1-10,19H,11H2,(H,20,21)

InChI Key

DBYKCLZBFHUGGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.086

Distribution Coefficient, logD

3.082

Water Solubility, LogSw

-4.05

Polar Surface Area

66.969

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

1431-0752 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1431-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1431-0752?
Check Price and Availability of 1431-0752, 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 1431-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1431-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1431-0752
  • 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 1431-0752 available by request