G506-0001 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

G506-0001 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione
G506-0001 Screening compound: 2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G506-0001
2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

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

G506-0001

Molecular Formula

C21H24FN3O3S (C21 H24 FN3 O3 S)

Compound Name

2-(4-{[4-(2-fluorophenyl)piperazino]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

IUPAC name

2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl}-1lambda62-thiazinane-11-dione

SMILES

O=C(c(cc1)ccc1N(CCCC1)S1(=O)=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C21H24FN3O3S/c22-19-5-1-2-6-20(19)23-12-14-24(15-13-23)21(26)17-7-9-18(10-8-17)25-11-3-4-16-29(25,27)28/h1-2,5-10H,3-4,11-16H2

InChI Key

BERUPTDTXRSODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08007134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.162

Distribution Coefficient, logD

2.162

Water Solubility, LogSw

-2.60

Polar Surface Area

51.516

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G506-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 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
  • Pool

References: we are preparing a list of scientific research reports with G506-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G506-0001?
Check Price and Availability of G506-0001, 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 G506-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G506-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G506-0001
  • 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 G506-0001 available by request