8012-6795 Screening compound: ethyl 2,5,6-trichloro-4-(3-toluidino)nicotinate

8012-6795 Screening compound: ethyl 2,5,6-trichloro-4-(3-toluidino)nicotinate
8012-6795 Screening compound: ethyl 2,5,6-trichloro-4-(3-toluidino)nicotinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6795
ethyl 2,5,6-trichloro-4-(3-toluidino)nicotinate

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

8012-6795

Molecular Formula

C15H13Cl3N2O2 (C15 H13 Cl3 N2 O2)

Compound Name

ethyl 2,5,6-trichloro-4-(3-toluidino)nicotinate

IUPAC name

ethyl 256-trichloro-4-[(3-methylphenyl)amino]pyridine-3-carboxylate

SMILES

CCOC(c(c(Nc1cc(C)ccc1)c(c(Cl)n1)Cl)c1Cl)=O

InChI

InChI=1S/C15H13Cl3N2O2/c1-3-22-15(21)10-12(11(16)14(18)20-13(10)17)19-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,19,20)

InChI Key

HOBQMRKPWJRINK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-5.08

Polar Surface Area

38.399

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8012-6795 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-6795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6795?
Check Price and Availability of 8012-6795, 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 8012-6795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6795
  • 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 8012-6795 available by request