5641-1630 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide

5641-1630 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide
5641-1630 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5641-1630
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylbenzenesulfonyl)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

5641-1630

Molecular Formula

C20H20ClF3N2O3S (C20 H20 ClF3 N2 O3 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-methylbenzenesulfonyl)piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1S(N(CC1)CCC1C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)(=O)=O

InChI

InChI=1S/C20H20ClF3N2O3S/c1-13-2-5-16(6-3-13)30(28,29)26-10-8-14(9-11-26)19(27)25-18-12-15(20(22,23)24)4-7-17(18)21/h2-7,12,14H,8-11H2,1H3,(H,25,27)

InChI Key

UQRMCFFPPRXECA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.85

Polar Surface Area

54.343

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5641-1630 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5641-1630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5641-1630?
Check Price and Availability of 5641-1630, 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 5641-1630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5641-1630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5641-1630
  • 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 5641-1630 available by request