V007-0898 Screening compound: 1-(2-chlorobenzenesulfonyl)-4-{2-[4-(trifluoromethyl)phenyl]ethyl}piperidine

V007-0898 Screening compound: 1-(2-chlorobenzenesulfonyl)-4-{2-[4-(trifluoromethyl)phenyl]ethyl}piperidine
V007-0898 Screening compound: 1-(2-chlorobenzenesulfonyl)-4-{2-[4-(trifluoromethyl)phenyl]ethyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-0898
1-(2-chlorobenzenesulfonyl)-4-{2-[4-(trifluoromethyl)phenyl]ethyl}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

V007-0898

Molecular Formula

C20H21ClF3NO2S (C20 H21 ClF3 NO2 S)

Compound Name

1-(2-chlorobenzenesulfonyl)-4-{2-[4-(trifluoromethyl)phenyl]ethyl}piperidine

IUPAC name

1-(2-chlorobenzenesulfonyl)-4-{2-[4-(trifluoromethyl)phenyl]ethyl}piperidine

SMILES

O=S(c(cccc1)c1Cl)(N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1)=O

InChI

InChI=1S/C20H21ClF3NO2S/c21-18-3-1-2-4-19(18)28(26,27)25-13-11-16(12-14-25)6-5-15-7-9-17(10-8-15)20(22,23)24/h1-4,7-10,16H,5-6,11-14H2

InChI Key

BDGYGUJMSAGRFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.477

Distribution Coefficient, logD

5.477

Water Solubility, LogSw

-6.14

Polar Surface Area

31.678

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

-5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V007-0898 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V007-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-0898?
Check Price and Availability of V007-0898, 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 V007-0898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-0898
  • 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 V007-0898 available by request