8006-0654 Screening compound: 5-methyl-2,4-dinitrobenzoic acid

8006-0654 Screening compound: 5-methyl-2,4-dinitrobenzoic acid
8006-0654 Screening compound: 5-methyl-2,4-dinitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0654
5-methyl-2,4-dinitrobenzoic acid

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

8006-0654

Molecular Formula

C8H6N2O6 (C8 H6 N2 O6)

Compound Name

5-methyl-2,4-dinitrobenzoic acid

IUPAC name

5-methyl-24-dinitrobenzoic acid

SMILES

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

InChI

InChI=1S/C8H6N2O6/c1-4-2-5(8(11)12)7(10(15)16)3-6(4)9(13)14/h2-3H,1H3,(H,11,12)

InChI Key

SESSPRSOEAVOMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.15

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

-3.079

Water Solubility, LogSw

-2.03

Polar Surface Area

94.808

Acid Dissociation Constant (pKa)

2.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8006-0654 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8006-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0654?
Check Price and Availability of 8006-0654, 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 8006-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0654
  • 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 8006-0654 available by request