E966-1310 Screening compound: ethyl 4-{[(4-methoxyphenyl)methyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

E966-1310 Screening compound: ethyl 4-{[(4-methoxyphenyl)methyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
E966-1310 Screening compound: ethyl 4-{[(4-methoxyphenyl)methyl]sulfamoyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E966-1310
ethyl 4-{[(4-methoxyphenyl)methyl]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

E966-1310

Molecular Formula

C18H24N2O5S (C18 H24 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)n(C)c(C)c1S(NCc(cc1)ccc1OC)(=O)=O)=O

InChI

InChI=1S/C18H24N2O5S/c1-6-25-18(21)16-12(2)20(4)13(3)17(16)26(22,23)19-11-14-7-9-15(24-5)10-8-14/h7-10,19H,6,11H2,1-5H3

InChI Key

NUTLEJYKLLEHRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.69

Polar Surface Area

73.073

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E966-1310 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E966-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E966-1310?
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What is the minimum amount of E966-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E966-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E966-1310
  • 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 E966-1310 available by request