2951-0019 Screening compound: 1,3,3-trimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

2951-0019 Screening compound: 1,3,3-trimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one
2951-0019 Screening compound: 1,3,3-trimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2951-0019
1,3,3-trimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

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

2951-0019

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

1,3,3-trimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

133-trimethyl-4-(3-nitrobenzoyl)-1234-tetrahydroquinoxalin-2-one

SMILES

CC1(C)N(C(c2cccc([N+]([O-])=O)c2)=O)c(cccc2)c2N(C)C1=O

InChI

InChI=1S/C18H17N3O4/c1-18(2)17(23)19(3)14-9-4-5-10-15(14)20(18)16(22)12-7-6-8-13(11-12)21(24)25/h4-11H,1-3H3

InChI Key

NISJTNNYIYXNTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.245

Distribution Coefficient, logD

2.245

Water Solubility, LogSw

-2.52

Polar Surface Area

62.749

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

2951-0019 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2951-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2951-0019?
Check Price and Availability of 2951-0019, 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 2951-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2951-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2951-0019
  • 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 2951-0019 available by request