G070-0742 Screening compound: ethyl 2,5-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate

G070-0742 Screening compound: ethyl 2,5-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate
G070-0742 Screening compound: ethyl 2,5-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0742
ethyl 2,5-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-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

G070-0742

Molecular Formula

C18H23N3O5S2 (C18 H23 N3 O5 S2)

Compound Name

ethyl 2,5-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 25-dimethyl-4-[({[3-(methylsulfanyl)phenyl]carbamoyl}methyl)sulfamoyl]-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(NCC(Nc1cc(SC)ccc1)=O)(=O)=O)=O

InChI

InChI=1S/C18H23N3O5S2/c1-5-26-18(23)16-11(2)20-12(3)17(16)28(24,25)19-10-15(22)21-13-7-6-8-14(9-13)27-4/h6-9,19-20H,5,10H2,1-4H3,(H,21,22)

InChI Key

JFPMIOWHKKFNTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.300

Distribution Coefficient, logD

2.298

Water Solubility, LogSw

-2.94

Polar Surface Area

96.688

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G070-0742 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G070-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0742?
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What is the minimum amount of G070-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0742
  • 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 G070-0742 available by request