8018-3122 Screening compound: 3-methyl-N~6~-[3-(morpholinocarbonyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

8018-3122 Screening compound: 3-methyl-N~6~-[3-(morpholinocarbonyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
8018-3122 Screening compound: 3-methyl-N~6~-[3-(morpholinocarbonyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3122
3-methyl-N~6~-[3-(morpholinocarbonyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-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

8018-3122

Molecular Formula

C19H19N3O5S2 (C19 H19 N3 O5 S2)

Compound Name

3-methyl-N~6~-[3-(morpholinocarbonyl)phenyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide

IUPAC name

3-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-23-dihydro-13-benzothiazole-6-sulfonamide

SMILES

CN(c(ccc(S(Nc1cc(C(N2CCOCC2)=O)ccc1)(=O)=O)c1)c1S1)C1=O

InChI

InChI=1S/C19H19N3O5S2/c1-21-16-6-5-15(12-17(16)28-19(21)24)29(25,26)20-14-4-2-3-13(11-14)18(23)22-7-9-27-10-8-22/h2-6,11-12,20H,7-10H2,1H3

InChI Key

TWFCGNLIJRGBBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.193

Water Solubility, LogSw

-2.98

Polar Surface Area

81.055

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

8018-3122 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-3122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3122?
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What is the minimum amount of 8018-3122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3122
  • 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 8018-3122 available by request