5867-0833 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine

5867-0833 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine
5867-0833 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-0833
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)benzenesulfonyl]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

5867-0833

Molecular Formula

C19H19F3N2O4S (C19 H19 F3 N2 O4 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)benzenesulfonyl]piperazine

SMILES

O=S(c1cc(C(F)(F)F)ccc1)(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C19H19F3N2O4S/c20-19(21,22)15-2-1-3-16(11-15)29(25,26)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)28-13-27-17/h1-5,10-11H,6-9,12-13H2

InChI Key

QNVWFCKCXYYMNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.75

Polar Surface Area

52.605

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5867-0833 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5867-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-0833?
Check Price and Availability of 5867-0833, 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 5867-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-0833
  • 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 5867-0833 available by request