4982-0442 Screening compound: 3,3-dimethyl-7-nitro-3,4-dihydro-2(1H)-quinoxalinone

4982-0442 Screening compound: 3,3-dimethyl-7-nitro-3,4-dihydro-2(1H)-quinoxalinone
4982-0442 Screening compound: 3,3-dimethyl-7-nitro-3,4-dihydro-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4982-0442
3,3-dimethyl-7-nitro-3,4-dihydro-2(1H)-quinoxalinone

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

4982-0442

Molecular Formula

C10H11N3O3 (C10 H11 N3 O3)

Compound Name

3,3-dimethyl-7-nitro-3,4-dihydro-2(1H)-quinoxalinone

IUPAC name

33-dimethyl-7-nitro-1234-tetrahydroquinoxalin-2-one

SMILES

CC1(C)Nc(ccc([N+]([O-])=O)c2)c2NC1=O

InChI

InChI=1S/C10H11N3O3/c1-10(2)9(14)11-8-5-6(13(15)16)3-4-7(8)12-10/h3-5,12H,1-2H3,(H,11,14)

InChI Key

SNJFWOQGLWPSKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02647998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

1.645

Water Solubility, LogSw

-2.34

Polar Surface Area

69.934

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4982-0442 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4982-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4982-0442?
Check Price and Availability of 4982-0442, 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 4982-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4982-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4982-0442
  • 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 4982-0442 available by request