E966-1253 Screening compound: ethyl 4-[(4-acetylphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

E966-1253 Screening compound: ethyl 4-[(4-acetylphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
E966-1253 Screening compound: ethyl 4-[(4-acetylphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1253
ethyl 4-[(4-acetylphenyl)sulfamoyl]-1,2,5-trimethyl-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

E966-1253

Molecular Formula

C18H22N2O5S (C18 H22 N2 O5 S)

Compound Name

ethyl 4-[(4-acetylphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 4-[(4-acetylphenyl)sulfamoyl]-125-trimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(C)c1S(Nc(cc1)ccc1C(C)=O)(=O)=O)=O

InChI

InChI=1S/C18H22N2O5S/c1-6-25-18(22)16-11(2)20(5)12(3)17(16)26(23,24)19-15-9-7-14(8-10-15)13(4)21/h7-10,19H,6H2,1-5H3

InChI Key

ROIHSPILDIDSTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.869

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.58

Polar Surface Area

78.247

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E966-1253 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E966-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1253?
Check Price and Availability of E966-1253, 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 E966-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1253
  • 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 E966-1253 available by request