G070-0598 Screening compound: ethyl 2,5-dimethyl-4-{methyl[(phenylcarbamoyl)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate

G070-0598 Screening compound: ethyl 2,5-dimethyl-4-{methyl[(phenylcarbamoyl)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate
G070-0598 Screening compound: ethyl 2,5-dimethyl-4-{methyl[(phenylcarbamoyl)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0598
ethyl 2,5-dimethyl-4-{methyl[(phenylcarbamoyl)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

G070-0598

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)[nH]c(C)c1S(N(C)CC(Nc1ccccc1)=O)(=O)=O)=O

InChI

InChI=1S/C18H23N3O5S/c1-5-26-18(23)16-12(2)19-13(3)17(16)27(24,25)21(4)11-15(22)20-14-9-7-6-8-10-14/h6-10,19H,5,11H2,1-4H3,(H,20,22)

InChI Key

DJLQZCFNOFMYRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.57

Polar Surface Area

87.494

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G070-0598 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G070-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0598?
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What is the minimum amount of G070-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0598
  • 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 G070-0598 available by request