G070-0998 Screening compound: ethyl 4-[({1-[(furan-2-yl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-0998 Screening compound: ethyl 4-[({1-[(furan-2-yl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-0998 Screening compound: ethyl 4-[({1-[(furan-2-yl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0998
ethyl 4-[({1-[(furan-2-yl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-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

G070-0998

Molecular Formula

C20H29N3O5S (C20 H29 N3 O5 S)

Compound Name

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

IUPAC name

ethyl 4-[({1-[(furan-2-yl)methyl]piperidin-4-yl}methyl)sulfamoyl]-25-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C)c1S(NCC1CCN(Cc2ccco2)CC1)(=O)=O)=O

InChI

InChI=1S/C20H29N3O5S/c1-4-27-20(24)18-14(2)22-15(3)19(18)29(25,26)21-12-16-7-9-23(10-8-16)13-17-6-5-11-28-17/h5-6,11,16,21-22H,4,7-10,12-13H2,1-3H3

InChI Key

XJQPDENIYZISRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

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

2.571

Distribution Coefficient, logD

1.304

Water Solubility, LogSw

-2.77

Polar Surface Area

85.020

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

G070-0998 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 G070-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0998?
Check Price and Availability of G070-0998, 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 G070-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0998
  • 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 G070-0998 available by request