000S-0676 Screening compound: 1,2-dimethyl 3-nitrobenzene-1,2-dicarboxylate

000S-0676 Screening compound: 1,2-dimethyl 3-nitrobenzene-1,2-dicarboxylate
000S-0676 Screening compound: 1,2-dimethyl 3-nitrobenzene-1,2-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 000S-0676
1,2-dimethyl 3-nitrobenzene-1,2-dicarboxylate

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

000S-0676

Molecular Formula

C10H9NO6 (C10 H9 NO6)

Compound Name

1,2-dimethyl 3-nitrobenzene-1,2-dicarboxylate

IUPAC name

12-dimethyl 3-nitrobenzene-12-dicarboxylate

SMILES

COC(c1cccc([N+]([O-])=O)c1C(OC)=O)=O

InChI

InChI=1S/C10H9NO6/c1-16-9(12)6-4-3-5-7(11(14)15)8(6)10(13)17-2/h3-5H,1-2H3

InChI Key

MLQMIKSBTAZNBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00017184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.18

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-2.08

Polar Surface Area

75.667

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

000S-0676 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 000S-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 000S-0676?
Check Price and Availability of 000S-0676, 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 000S-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 000S-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 000S-0676
  • 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 000S-0676 available by request