E138-1031 Screening compound: methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

E138-1031 Screening compound: methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
E138-1031 Screening compound: methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E138-1031
methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-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

E138-1031

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate

SMILES

Cn1c(C(OC)=O)cc(S(N2CCN(Cc3ccccc3)CC2)(=O)=O)c1

InChI

InChI=1S/C18H23N3O4S/c1-19-14-16(12-17(19)18(22)25-2)26(23,24)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3

InChI Key

IKPUCCYGNBGAAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.327

Distribution Coefficient, logD

1.320

Water Solubility, LogSw

-2.28

Polar Surface Area

58.974

Acid Dissociation Constant (pKa)

28.52

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E138-1031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E138-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E138-1031?
Check Price and Availability of E138-1031, 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 E138-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E138-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E138-1031
  • 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 E138-1031 available by request