C201-0313 Screening compound: ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate

C201-0313 Screening compound: ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate
C201-0313 Screening compound: ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0313
ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate

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

C201-0313

Molecular Formula

C12H16ClN3O2 (C12 H16 ClN3 O2)

Compound Name

ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(cc1)nnc1Cl)=O

InChI

InChI=1S/C12H16ClN3O2/c1-2-18-12(17)9-5-7-16(8-6-9)11-4-3-10(13)14-15-11/h3-4,9H,2,5-8H2,1H3

InChI Key

KNGPBMDNKGJVFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03425828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.47

Polar Surface Area

45.518

Acid Dissociation Constant (pKa)

22.57

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

C201-0313 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C201-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0313?
Check Price and Availability of C201-0313, 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 C201-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0313
  • 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 C201-0313 available by request