8012-0541 Screening compound: methyl 2,4,6-trichloro-5-nitronicotinate

8012-0541 Screening compound: methyl 2,4,6-trichloro-5-nitronicotinate
8012-0541 Screening compound: methyl 2,4,6-trichloro-5-nitronicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0541
methyl 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

8012-0541

Molecular Formula

C7H3Cl3N2O4 (C7 H3 Cl3 N2 O4)

Compound Name

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

IUPAC name

methyl 246-trichloro-5-nitropyridine-3-carboxylate

SMILES

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

InChI

InChI=1S/C7H3Cl3N2O4/c1-16-7(13)2-3(8)4(12(14)15)6(10)11-5(2)9/h1H3

InChI Key

ASUSJXUAPJOJTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.99

Polar Surface Area

64.082

Acid Dissociation Constant (pKa)

32.87

Base Dissociation Constant (pKb)

-10.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8012-0541 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 8012-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0541?
Check Price and Availability of 8012-0541, 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 8012-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0541
  • 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 8012-0541 available by request