G348-0536 Screening compound: 2-(2,5-dimethylbenzyl)-6-[2-(2-ethylpiperidino)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione

G348-0536 Screening compound: 2-(2,5-dimethylbenzyl)-6-[2-(2-ethylpiperidino)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione
G348-0536 Screening compound: 2-(2,5-dimethylbenzyl)-6-[2-(2-ethylpiperidino)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G348-0536
2-(2,5-dimethylbenzyl)-6-[2-(2-ethylpiperidino)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-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

G348-0536

Molecular Formula

C21H33N3O3S (C21 H33 N3 O3 S)

Compound Name

2-(2,5-dimethylbenzyl)-6-[2-(2-ethylpiperidino)-2-oxoethyl]-1lambda~6~,2,6-thiadiazinane-1,1-dione

IUPAC name

2-[(25-dimethylphenyl)methyl]-6-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1lambda626-thiadiazinane-11-dione

SMILES

CCC(CCCC1)N1C(CN(CCCN1Cc2c(C)ccc(C)c2)S1(=O)=O)=O

InChI

InChI=1S/C21H33N3O3S/c1-4-20-8-5-6-13-24(20)21(25)16-23-12-7-11-22(28(23,26)27)15-19-14-17(2)9-10-18(19)3/h9-10,14,20H,4-8,11-13,15-16H2,1-3H3/t20-/m0/s1

InChI Key

TVIPMQJJFTWDIT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15000047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.35

Polar Surface Area

52.417

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

G348-0536 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G348-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G348-0536?
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What is the minimum amount of G348-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G348-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G348-0536
  • 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 G348-0536 available by request