2729-0455 Screening compound: N4-(4-METHYLPHENYL)-2-OXO-1

2729-0455 Screening compound: N4-(4-METHYLPHENYL)-2-OXO-1
2729-0455 Screening compound: N4-(4-METHYLPHENYL)-2-OXO-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0455
N4-(4-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

2729-0455

Molecular Formula

C17H14N2O2 (C17 H14 N2 O2)

Compound Name

N4-(4-METHYLPHENYL)-2-OXO-1

IUPAC name

n/a

SMILES

Cc(cc1)ccc1NC(C(c(cccc1)c1N1)=CC1=O)=O

InChI

InChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)18-17(21)14-10-16(20)19-15-5-3-2-4-13(14)15/h2-10H,1H3,(H,18,21)(H,19,20)

InChI Key

AFAQDMMQPWKENR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01464413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.983

Distribution Coefficient, logD

2.983

Water Solubility, LogSw

-3.72

Polar Surface Area

48.150

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

2729-0455 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 2729-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0455?
Check Price and Availability of 2729-0455, 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 2729-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0455
  • 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 2729-0455 available by request