1161-0032 Screening compound: 4-methyl-1,2-dinitrobenzene

1161-0032 Screening compound: 4-methyl-1,2-dinitrobenzene
1161-0032 Screening compound: 4-methyl-1,2-dinitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 1161-0032
4-methyl-1,2-dinitrobenzene

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

1161-0032

Molecular Formula

C7H6N2O4 (C7 H6 N2 O4)

Compound Name

4-methyl-1,2-dinitrobenzene

IUPAC name

4-methyl-12-dinitrobenzene

SMILES

Cc(cc1)cc([N+]([O-])=O)c1[N+]([O-])=O

InChI

InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3

InChI Key

INYDMNPNDHRJQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

182.14

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-2.37

Polar Surface Area

66.400

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1161-0032 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 1161-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1161-0032?
Check Price and Availability of 1161-0032, 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 1161-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1161-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1161-0032
  • 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 1161-0032 available by request