E966-1254 Screening compound: ethyl 4-[(3,4-dimethoxyphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

E966-1254 Screening compound: ethyl 4-[(3,4-dimethoxyphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
E966-1254 Screening compound: ethyl 4-[(3,4-dimethoxyphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1254
ethyl 4-[(3,4-dimethoxyphenyl)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

E966-1254

Molecular Formula

C18H24N2O6S (C18 H24 N2 O6 S)

Compound Name

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

IUPAC name

ethyl 4-[(34-dimethoxyphenyl)sulfamoyl]-125-trimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)n(C)c(C)c1S(Nc(cc1)cc(OC)c1OC)(=O)=O)=O

InChI

InChI=1S/C18H24N2O6S/c1-7-26-18(21)16-11(2)20(4)12(3)17(16)27(22,23)19-13-8-9-14(24-5)15(10-13)25-6/h8-10,19H,7H2,1-6H3

InChI Key

DJLYMKRLIXATDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.829

Distribution Coefficient, logD

1.753

Water Solubility, LogSw

-2.73

Polar Surface Area

79.682

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E966-1254 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 E966-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1254?
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What is the minimum amount of E966-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1254
  • 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 E966-1254 available by request