8012-0050 Screening compound: ethyl 2,4,6-trichloro-5-nitronicotinate

8012-0050 Screening compound: ethyl 2,4,6-trichloro-5-nitronicotinate
8012-0050 Screening compound: ethyl 2,4,6-trichloro-5-nitronicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0050
ethyl 2,4,6-trichloro-5-nitronicotinate

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

8012-0050

Molecular Formula

C8H5Cl3N2O4 (C8 H5 Cl3 N2 O4)

Compound Name

ethyl 2,4,6-trichloro-5-nitronicotinate

IUPAC name

ethyl 246-trichloro-5-nitropyridine-3-carboxylate

SMILES

CCOC(c(c(Cl)c(c(Cl)n1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C8H5Cl3N2O4/c1-2-17-8(14)3-4(9)5(13(15)16)7(11)12-6(3)10/h2H2,1H3

InChI Key

UFDWTEQPDNEBFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-4.06

Polar Surface Area

63.662

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-11.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-0050 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0050?
Check Price and Availability of 8012-0050, 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 8012-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0050
  • 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 8012-0050 available by request