8019-3456 Screening compound: 3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,2-benzothiazole

8019-3456 Screening compound: 3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,2-benzothiazole
8019-3456 Screening compound: 3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,2-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3456
3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,2-benzothiazole

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

8019-3456

Molecular Formula

C17H16FN3O2S2 (C17 H16 FN3 O2 S2)

Compound Name

3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-1,2-benzothiazole

IUPAC name

3-[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]-12-benzothiazole

SMILES

O=S(c(cc1)ccc1F)(N(CC1)CCN1c1nsc2c1cccc2)=O

InChI

InChI=1S/C17H16FN3O2S2/c18-13-5-7-14(8-6-13)25(22,23)21-11-9-20(10-12-21)17-15-3-1-2-4-16(15)24-19-17/h1-8H,9-12H2

InChI Key

HTLBMJCXCKALQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.21

Polar Surface Area

45.363

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8019-3456 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3456?
Check Price and Availability of 8019-3456, 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 8019-3456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3456
  • 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 8019-3456 available by request