G549-0180 Screening compound: ethyl 5-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate

G549-0180 Screening compound: ethyl 5-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate
G549-0180 Screening compound: ethyl 5-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G549-0180
ethyl 5-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate

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

G549-0180

Molecular Formula

C19H21N3O6S2 (C19 H21 N3 O6 S2)

Compound Name

ethyl 5-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]methyl}-1,2-oxazole-3-carboxylate

IUPAC name

ethyl 5-{[3-oxo-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-4-yl]methyl}-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(CN2c(cc(cc3)S(N4CCCC4)(=O)=O)c3SCC2=O)c1)=O

InChI

InChI=1S/C19H21N3O6S2/c1-2-27-19(24)15-9-13(28-20-15)11-22-16-10-14(5-6-17(16)29-12-18(22)23)30(25,26)21-7-3-4-8-21/h5-6,9-10H,2-4,7-8,11-12H2,1H3

InChI Key

BHVTWTJDMSJQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-2.80

Polar Surface Area

89.427

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

G549-0180 in Drug Discovery

Included in Screening Libraries

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 G549-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G549-0180?
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What is the minimum amount of G549-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G549-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G549-0180
  • 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 G549-0180 available by request