3335-1141 Screening compound: 1-[1-(4-chlorobenzenesulfonyl)piperidine-4-carbonyl]-3-(trifluoromethyl)piperidine

3335-1141 Screening compound: 1-[1-(4-chlorobenzenesulfonyl)piperidine-4-carbonyl]-3-(trifluoromethyl)piperidine
3335-1141 Screening compound: 1-[1-(4-chlorobenzenesulfonyl)piperidine-4-carbonyl]-3-(trifluoromethyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-1141
1-[1-(4-chlorobenzenesulfonyl)piperidine-4-carbonyl]-3-(trifluoromethyl)piperidine

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

3335-1141

Molecular Formula

C18H22ClF3N2O3S (C18 H22 ClF3 N2 O3 S)

Compound Name

1-[1-(4-chlorobenzenesulfonyl)piperidine-4-carbonyl]-3-(trifluoromethyl)piperidine

IUPAC name

1-[1-(4-chlorobenzenesulfonyl)piperidine-4-carbonyl]-3-(trifluoromethyl)piperidine

SMILES

O=C(C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O)N(CCC1)CC1C(F)(F)F

InChI

InChI=1S/C18H22ClF3N2O3S/c19-15-3-5-16(6-4-15)28(26,27)24-10-7-13(8-11-24)17(25)23-9-1-2-14(12-23)18(20,21)22/h3-6,13-14H,1-2,7-12H2/t14-/m0/s1

InChI Key

AJHBAUHRPOGPCT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00723905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.83

Polar Surface Area

48.531

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

3335-1141 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3335-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-1141?
Check Price and Availability of 3335-1141, 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 3335-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-1141
  • 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 3335-1141 available by request