G189-2095 Screening compound: ethyl 5-{4-methoxy-3-[(4-sulfamoylphenyl)sulfamoyl]phenyl}-1,2-oxazole-3-carboxylate

G189-2095 Screening compound: ethyl 5-{4-methoxy-3-[(4-sulfamoylphenyl)sulfamoyl]phenyl}-1,2-oxazole-3-carboxylate
G189-2095 Screening compound: ethyl 5-{4-methoxy-3-[(4-sulfamoylphenyl)sulfamoyl]phenyl}-1,2-oxazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G189-2095
ethyl 5-{4-methoxy-3-[(4-sulfamoylphenyl)sulfamoyl]phenyl}-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

G189-2095

Molecular Formula

C19H19N3O8S2 (C19 H19 N3 O8 S2)

Compound Name

ethyl 5-{4-methoxy-3-[(4-sulfamoylphenyl)sulfamoyl]phenyl}-1,2-oxazole-3-carboxylate

IUPAC name

ethyl 5-{4-methoxy-3-[(4-sulfamoylphenyl)sulfamoyl]phenyl}-12-oxazole-3-carboxylate

SMILES

CCOC(c1noc(-c(cc2)cc(S(Nc(cc3)ccc3S(N)(=O)=O)(=O)=O)c2OC)c1)=O

InChI

InChI=1S/C19H19N3O8S2/c1-3-29-19(23)15-11-17(30-21-15)12-4-9-16(28-2)18(10-12)32(26,27)22-13-5-7-14(8-6-13)31(20,24)25/h4-11,22H,3H2,1-2H3,(H2,20,24,25)

InChI Key

PTIZTPIFQIISIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14982935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.51

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

0.577

Water Solubility, LogSw

-2.83

Polar Surface Area

141.411

Acid Dissociation Constant (pKa)

6.06

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

G189-2095 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
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 G189-2095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G189-2095?
Check Price and Availability of G189-2095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G189-2095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G189-2095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G189-2095
  • 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 G189-2095 available by request