G658-0002 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one

G658-0002 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
G658-0002 Screening compound: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G658-0002
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,4-benzothiazin-4-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

G658-0002

Molecular Formula

C20H22ClN3OS (C20 H22 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cccc2)c2SCC1)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C20H22ClN3OS/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

SXXPXSSYEVJPEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.93

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

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-3.81

Polar Surface Area

22.454

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G658-0002 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G658-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G658-0002?
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What is the minimum amount of G658-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G658-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G658-0002
  • 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 G658-0002 available by request