G508-0096 Screening compound: 2-(4-{[4-(2-furylcarbonyl)piperazino]sulfonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

G508-0096 Screening compound: 2-(4-{[4-(2-furylcarbonyl)piperazino]sulfonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione
G508-0096 Screening compound: 2-(4-{[4-(2-furylcarbonyl)piperazino]sulfonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G508-0096
2-(4-{[4-(2-furylcarbonyl)piperazino]sulfonyl}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

G508-0096

Molecular Formula

C19H23N3O6S2 (C19 H23 N3 O6 S2)

Compound Name

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

IUPAC name

2-(4-{[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl}phenyl)-1lambda62-thiazinane-11-dione

SMILES

O=C(c1ccco1)N(CC1)CCN1S(c(cc1)ccc1N(CCCC1)S1(=O)=O)(=O)=O

InChI

InChI=1S/C19H23N3O6S2/c23-19(18-4-3-14-28-18)20-10-12-21(13-11-20)30(26,27)17-7-5-16(6-8-17)22-9-1-2-15-29(22,24)25/h3-8,14H,1-2,9-13,15H2

InChI Key

OHCDKLMFMPHBHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08007664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.828

Distribution Coefficient, logD

0.828

Water Solubility, LogSw

-2.12

Polar Surface Area

88.654

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G508-0096 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G508-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G508-0096?
Check Price and Availability of G508-0096, 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 G508-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G508-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G508-0096
  • 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 G508-0096 available by request