E511-3857 Screening compound: methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate

E511-3857 Screening compound: methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
E511-3857 Screening compound: methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3857
methyl 4-{[4-(4-acetylphenyl)piperazin-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

E511-3857

Molecular Formula

C18H21N3O5S (C18 H21 N3 O5 S)

Compound Name

methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate

IUPAC name

methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1c[nH]c(C(OC)=O)c1)(=O)=O)=O

InChI

InChI=1S/C18H21N3O5S/c1-13(22)14-3-5-15(6-4-14)20-7-9-21(10-8-20)27(24,25)16-11-17(19-12-16)18(23)26-2/h3-6,11-12,19H,7-10H2,1-2H3

InChI Key

JCNLEFLOGIYCBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

1.666

Water Solubility, LogSw

-2.60

Polar Surface Area

80.366

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E511-3857 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E511-3857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3857?
Check Price and Availability of E511-3857, 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 E511-3857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3857
  • 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 E511-3857 available by request