G660-0028 Screening compound: N,N-dimethyl-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

G660-0028 Screening compound: N,N-dimethyl-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
G660-0028 Screening compound: N,N-dimethyl-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G660-0028
N,N-dimethyl-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

G660-0028

Molecular Formula

C21H27N5O3S2 (C21 H27 N5 O3 S2)

Compound Name

N,N-dimethyl-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

NN-dimethyl-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CN(C)S(c(cc1)cc2c1SCCN2CC(N(CC1)CCN1c1ncccc1)=O)(=O)=O

InChI

InChI=1S/C21H27N5O3S2/c1-23(2)31(28,29)17-6-7-19-18(15-17)26(13-14-30-19)16-21(27)25-11-9-24(10-12-25)20-5-3-4-8-22-20/h3-8,15H,9-14,16H2,1-2H3

InChI Key

KRPJIAJVSWHCER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15026644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.78

Polar Surface Area

64.629

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G660-0028 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G660-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G660-0028?
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What is the minimum amount of G660-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G660-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G660-0028
  • 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 G660-0028 available by request