E511-3863 Screening compound: methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate

E511-3863 Screening compound: methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate
E511-3863 Screening compound: methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3863
methyl 4-[(4-benzylpiperazin-1-yl)sulfonyl]-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

E511-3863

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cc(S(N2CCN(Cc3ccccc3)CC2)(=O)=O)c[nH]1)=O

InChI

InChI=1S/C17H21N3O4S/c1-24-17(21)16-11-15(12-18-16)25(22,23)20-9-7-19(8-10-20)13-14-5-3-2-4-6-14/h2-6,11-12,18H,7-10,13H2,1H3

InChI Key

UNPQMLYZKBJBCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-2.61

Polar Surface Area

66.820

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E511-3863 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E511-3863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3863?
Check Price and Availability of E511-3863, 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 E511-3863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3863
  • 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 E511-3863 available by request