8019-3732 Screening compound: 3-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-1,2-benzothiazole

8019-3732 Screening compound: 3-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-1,2-benzothiazole
8019-3732 Screening compound: 3-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-1,2-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3732
3-{4-[4-(trifluoromethoxy)benzenesulfonyl]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

8019-3732

Molecular Formula

C18H16F3N3O3S2 (C18 H16 F3 N3 O3 S2)

Compound Name

3-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-1,2-benzothiazole

IUPAC name

3-{4-[4-(trifluoromethoxy)benzenesulfonyl]piperazin-1-yl}-12-benzothiazole

SMILES

O=S(c(cc1)ccc1OC(F)(F)F)(N(CC1)CCN1c1nsc2c1cccc2)=O

InChI

InChI=1S/C18H16F3N3O3S2/c19-18(20,21)27-13-5-7-14(8-6-13)29(25,26)24-11-9-23(10-12-24)17-15-3-1-2-4-16(15)28-22-17/h1-8H,9-12H2

InChI Key

QNSJVRBXLGCMSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

5.182

Water Solubility, LogSw

-5.60

Polar Surface Area

51.299

Acid Dissociation Constant (pKa)

24.20

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8019-3732 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3732?
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What is the minimum amount of 8019-3732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3732
  • 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 8019-3732 available by request