G658-0033 Screening compound: 2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

G658-0033 Screening compound: 2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one
G658-0033 Screening compound: 2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G658-0033
2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

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

G658-0033

Molecular Formula

C20H22FN3OS (C20 H22 FN3 OS)

Compound Name

2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(34-dihydro-2H-14-benzothiazin-4-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CN1c(cccc2)c2SCC1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C20H22FN3OS/c21-16-5-7-17(8-6-16)22-9-11-23(12-10-22)20(25)15-24-13-14-26-19-4-2-1-3-18(19)24/h1-8H,9-15H2

InChI Key

LSWZNJATYJOMQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

3.025

Water Solubility, LogSw

-3.35

Polar Surface Area

22.454

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G658-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G658-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G658-0033?
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What is the minimum amount of G658-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G658-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G658-0033
  • 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 G658-0033 available by request