G348-0591 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

G348-0591 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide
G348-0591 Screening compound: N~1~-(2,5-dimethoxyphenyl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G348-0591
N~1~-(2,5-dimethoxyphenyl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

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

G348-0591

Molecular Formula

C21H27N3O5S (C21 H27 N3 O5 S)

Compound Name

N~1~-(2,5-dimethoxyphenyl)-2-[6-(2-methylbenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]acetamide

IUPAC name

N-(25-dimethoxyphenyl)-2-{6-[(2-methylphenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

Cc1c(CN(CCCN2CC(Nc(cc(cc3)OC)c3OC)=O)S2(=O)=O)cccc1

InChI

InChI=1S/C21H27N3O5S/c1-16-7-4-5-8-17(16)14-23-11-6-12-24(30(23,26)27)15-21(25)22-19-13-18(28-2)9-10-20(19)29-3/h4-5,7-10,13H,6,11-12,14-15H2,1-3H3,(H,22,25)

InChI Key

CCUFPKGCJCDKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15000072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.873

Distribution Coefficient, logD

2.872

Water Solubility, LogSw

-3.27

Polar Surface Area

74.004

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

G348-0591 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G348-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G348-0591?
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What is the minimum amount of G348-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G348-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G348-0591
  • 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 G348-0591 available by request