E138-1312 Screening compound: ethyl 1-methyl-4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

E138-1312 Screening compound: ethyl 1-methyl-4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
E138-1312 Screening compound: ethyl 1-methyl-4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-1312
ethyl 1-methyl-4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-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

E138-1312

Molecular Formula

C15H18N2O4S2 (C15 H18 N2 O4 S2)

Compound Name

ethyl 1-methyl-4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-methyl-4-{[3-(methylsulfanyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(Nc2cc(SC)ccc2)(=O)=O)cn1C)=O

InChI

InChI=1S/C15H18N2O4S2/c1-4-21-15(18)14-9-13(10-17(14)2)23(19,20)16-11-6-5-7-12(8-11)22-3/h5-10,16H,4H2,1-3H3

InChI Key

UHAFBXPOIDWZFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-2.86

Polar Surface Area

63.952

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

E138-1312 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E138-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-1312?
Check Price and Availability of E138-1312, 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 E138-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-1312
  • 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 E138-1312 available by request