L796-0129 Screening compound: 1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

L796-0129 Screening compound: 1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
L796-0129 Screening compound: 1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L796-0129
1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

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

L796-0129

Molecular Formula

C22H19F3N2O3S2 (C22 H19 F3 N2 O3 S2)

Compound Name

1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-[5-(benzenesulfonyl)thiophene-2-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

O=C(c(s1)ccc1S(c1ccccc1)(=O)=O)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H19F3N2O3S2/c23-22(24,25)16-5-4-6-17(15-16)26-11-13-27(14-12-26)21(28)19-9-10-20(31-19)32(29,30)18-7-2-1-3-8-18/h1-10,15H,11-14H2

InChI Key

PMLOLZVPZUURMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.45

Polar Surface Area

50.666

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L796-0129 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L796-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L796-0129?
Check Price and Availability of L796-0129, 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 L796-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L796-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L796-0129
  • 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 L796-0129 available by request