G658-0106 Screening compound: 2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide

G658-0106 Screening compound: 2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide
G658-0106 Screening compound: 2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G658-0106
2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide

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

G658-0106

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

2-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide

IUPAC name

2-(34-dihydro-2H-14-benzothiazin-4-yl)-N-(3-phenylpropyl)acetamide

SMILES

O=C(CN1c(cccc2)c2SCC1)NCCCc1ccccc1

InChI

InChI=1S/C19H22N2OS/c22-19(20-12-6-9-16-7-2-1-3-8-16)15-21-13-14-23-18-11-5-4-10-17(18)21/h1-5,7-8,10-11H,6,9,12-15H2,(H,20,22)

InChI Key

AFVMNUGQKKDZQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06373990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.72

Polar Surface Area

27.114

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G658-0106 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G658-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G658-0106?
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What is the minimum amount of G658-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G658-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G658-0106
  • 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 G658-0106 available by request