D153-0099 Screening compound: 1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine

D153-0099 Screening compound: 1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine
D153-0099 Screening compound: 1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0099
1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]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

D153-0099

Molecular Formula

C12H13ClF3NO2S (C12 H13 ClF3 NO2 S)

Compound Name

1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine

IUPAC name

1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperidine

SMILES

O=S(c(cc(C(F)(F)F)cc1)c1Cl)(N1CCCCC1)=O

InChI

InChI=1S/C12H13ClF3NO2S/c13-10-5-4-9(12(14,15)16)8-11(10)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2

InChI Key

OKUGMBMOWIYCSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02572872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.94

Polar Surface Area

31.949

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D153-0099 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D153-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0099?
Check Price and Availability of D153-0099, 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 D153-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0099
  • 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 D153-0099 available by request