3666-3109 Screening compound: 1-(2-chloro-5-nitrobenzoyl)-2,6-dimethylpiperidine

3666-3109 Screening compound: 1-(2-chloro-5-nitrobenzoyl)-2,6-dimethylpiperidine
3666-3109 Screening compound: 1-(2-chloro-5-nitrobenzoyl)-2,6-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3666-3109
1-(2-chloro-5-nitrobenzoyl)-2,6-dimethylpiperidine

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

3666-3109

Molecular Formula

C14H17ClN2O3 (C14 H17 ClN2 O3)

Compound Name

1-(2-chloro-5-nitrobenzoyl)-2,6-dimethylpiperidine

IUPAC name

1-(2-chloro-5-nitrobenzoyl)-26-dimethylpiperidine

SMILES

CC(CCCC1C)N1C(c(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C14H17ClN2O3/c1-9-4-3-5-10(2)16(9)14(18)12-8-11(17(19)20)6-7-13(12)15/h6-10H,3-5H2,1-2H3

InChI Key

CTLJQORROKNSCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01107098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.78

Polar Surface Area

48.492

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

3666-3109 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3666-3109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3666-3109?
Check Price and Availability of 3666-3109, 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 3666-3109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3666-3109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3666-3109
  • 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 3666-3109 available by request