G070-0997 Screening compound: ethyl 4-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

G070-0997 Screening compound: ethyl 4-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
G070-0997 Screening compound: ethyl 4-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G070-0997
ethyl 4-[({1-[(3-fluorophenyl)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

G070-0997

Molecular Formula

C22H30FN3O4S (C22 H30 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)[nH]c(C)c1S(NCC1CCN(Cc2cc(F)ccc2)CC1)(=O)=O)=O

InChI

InChI=1S/C22H30FN3O4S/c1-4-30-22(27)20-15(2)25-16(3)21(20)31(28,29)24-13-17-8-10-26(11-9-17)14-18-6-5-7-19(23)12-18/h5-7,12,17,24-25H,4,8-11,13-14H2,1-3H3

InChI Key

REWMHNKSWWPGQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.285

Distribution Coefficient, logD

1.782

Water Solubility, LogSw

-3.62

Polar Surface Area

77.271

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G070-0997 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • 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 G070-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G070-0997?
Check Price and Availability of G070-0997, 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 G070-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G070-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G070-0997
  • 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 G070-0997 available by request