E511-3322 Screening compound: 1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]azepane

E511-3322 Screening compound: 1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]azepane
E511-3322 Screening compound: 1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3322
1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]azepane

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

E511-3322

Molecular Formula

C16H25N3O3S (C16 H25 N3 O3 S)

Compound Name

1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]azepane

IUPAC name

1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]azepane

SMILES

O=C(c1cc(S(N2CCCCC2)(=O)=O)c[nH]1)N1CCCCCC1

InChI

InChI=1S/C16H25N3O3S/c20-16(18-8-4-1-2-5-9-18)15-12-14(13-17-15)23(21,22)19-10-6-3-7-11-19/h12-13,17H,1-11H2

InChI Key

WMYQCPIRTNTHCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14892979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.70

Polar Surface Area

59.085

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

E511-3322 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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 E511-3322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3322?
Check Price and Availability of E511-3322, 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 E511-3322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3322
  • 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 E511-3322 available by request