E966-1454 Screening compound: ethyl 1,2,5-trimethyl-4-({4-[(4-methylpiperidin-1-yl)methyl]phenyl}sulfamoyl)-1H-pyrrole-3-carboxylate

E966-1454 Screening compound: ethyl 1,2,5-trimethyl-4-({4-[(4-methylpiperidin-1-yl)methyl]phenyl}sulfamoyl)-1H-pyrrole-3-carboxylate
E966-1454 Screening compound: ethyl 1,2,5-trimethyl-4-({4-[(4-methylpiperidin-1-yl)methyl]phenyl}sulfamoyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1454
ethyl 1,2,5-trimethyl-4-({4-[(4-methylpiperidin-1-yl)methyl]phenyl}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

E966-1454

Molecular Formula

C23H33N3O4S (C23 H33 N3 O4 S)

Compound Name

ethyl 1,2,5-trimethyl-4-({4-[(4-methylpiperidin-1-yl)methyl]phenyl}sulfamoyl)-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 125-trimethyl-4-({4-[(4-methylpiperidin-1-yl)methyl]phenyl}sulfamoyl)-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(C)c1S(Nc1ccc(CN2CCC(C)CC2)cc1)(=O)=O)=O

InChI

InChI=1S/C23H33N3O4S/c1-6-30-23(27)21-17(3)25(5)18(4)22(21)31(28,29)24-20-9-7-19(8-10-20)15-26-13-11-16(2)12-14-26/h7-10,16,24H,6,11-15H2,1-5H3

InChI Key

YYHSNCMGTMUQCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-3.41

Polar Surface Area

68.153

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

E966-1454 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 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
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E966-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1454?
Check Price and Availability of E966-1454, 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 E966-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1454
  • 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 E966-1454 available by request