G508-0075 Screening compound: 2-{4-[(4-benzylpiperazino)sulfonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione

G508-0075 Screening compound: 2-{4-[(4-benzylpiperazino)sulfonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
G508-0075 Screening compound: 2-{4-[(4-benzylpiperazino)sulfonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G508-0075
2-{4-[(4-benzylpiperazino)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

G508-0075

Molecular Formula

C21H27N3O4S2 (C21 H27 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)ccc1N(CCCC1)S1(=O)=O)(N1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H27N3O4S2/c25-29(26)17-5-4-12-24(29)20-8-10-21(11-9-20)30(27,28)23-15-13-22(14-16-23)18-19-6-2-1-3-7-19/h1-3,6-11H,4-5,12-18H2

InChI Key

NUZQDUVGDMYXHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08007647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-2.53

Polar Surface Area

67.159

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G508-0075 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 G508-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G508-0075?
Check Price and Availability of G508-0075, 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 G508-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G508-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G508-0075
  • 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 G508-0075 available by request