5782-5954 Screening compound: N-(3-methylphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl]acetamide

5782-5954 Screening compound: N-(3-methylphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl]acetamide
5782-5954 Screening compound: N-(3-methylphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-5954
N-(3-methylphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl]acetamide

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

5782-5954

Molecular Formula

C24H20N4O5 (C24 H20 N4 O5)

Compound Name

N-(3-methylphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl]acetamide

IUPAC name

N-(3-methylphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-1234-tetrahydroquinoxalin-2-yl]acetamide

SMILES

Cc1cccc(NC(CC2N(C(c3cccc([N+]([O-])=O)c3)=O)c(cccc3)c3NC2=O)=O)c1

InChI

InChI=1S/C24H20N4O5/c1-15-6-4-8-17(12-15)25-22(29)14-21-23(30)26-19-10-2-3-11-20(19)27(21)24(31)16-7-5-9-18(13-16)28(32)33/h2-13,21H,14H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1

InChI Key

DORLCGWMARUPFU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02604264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

3.340

Water Solubility, LogSw

-3.71

Polar Surface Area

95.891

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

5782-5954 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5782-5954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-5954?
Check Price and Availability of 5782-5954, 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 5782-5954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-5954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-5954
  • 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 5782-5954 available by request