5788-2133 Screening compound: 1-(4-methoxybenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

5788-2133 Screening compound: 1-(4-methoxybenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
5788-2133 Screening compound: 1-(4-methoxybenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5788-2133
1-(4-methoxybenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

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

5788-2133

Molecular Formula

C20H21F3N2O4S (C20 H21 F3 N2 O4 S)

Compound Name

1-(4-methoxybenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

IUPAC name

1-(4-methoxybenzenesulfonyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

SMILES

COc(cc1)ccc1S(N(CC1)CCC1C(Nc1ccc(C(F)(F)F)cc1)=O)(=O)=O

InChI

InChI=1S/C20H21F3N2O4S/c1-29-17-6-8-18(9-7-17)30(27,28)25-12-10-14(11-13-25)19(26)24-16-4-2-15(3-5-16)20(21,22)23/h2-9,14H,10-13H2,1H3,(H,24,26)

InChI Key

OAPPLDJARFZYSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.601

Water Solubility, LogSw

-3.71

Polar Surface Area

62.584

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5788-2133 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5788-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5788-2133?
Check Price and Availability of 5788-2133, 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 5788-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5788-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5788-2133
  • 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 5788-2133 available by request