E138-1068 Screening compound: methyl 4-[(3-chloro-4-fluorophenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

E138-1068 Screening compound: methyl 4-[(3-chloro-4-fluorophenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
E138-1068 Screening compound: methyl 4-[(3-chloro-4-fluorophenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-1068
methyl 4-[(3-chloro-4-fluorophenyl)sulfamoyl]-1-methyl-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

E138-1068

Molecular Formula

C13H12ClFN2O4S (C13 H12 ClFN2 O4 S)

Compound Name

methyl 4-[(3-chloro-4-fluorophenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-[(3-chloro-4-fluorophenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(Nc(cc2)cc(Cl)c2F)(=O)=O)c1

InChI

InChI=1S/C13H12ClFN2O4S/c1-17-7-9(6-12(17)13(18)21-2)22(19,20)16-8-3-4-11(15)10(14)5-8/h3-7,16H,1-2H3

InChI Key

ZYRPUZCGMXJJMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.313

Distribution Coefficient, logD

1.171

Water Solubility, LogSw

-3.28

Polar Surface Area

64.372

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E138-1068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E138-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-1068?
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What is the minimum amount of E138-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-1068
  • 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 E138-1068 available by request