E511-4417 Screening compound: 2-methyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-2,3-dihydro-1H-indole

E511-4417 Screening compound: 2-methyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-2,3-dihydro-1H-indole
E511-4417 Screening compound: 2-methyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-4417
2-methyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-2,3-dihydro-1H-indole

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

E511-4417

Molecular Formula

C19H23N3O3S (C19 H23 N3 O3 S)

Compound Name

2-methyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-2,3-dihydro-1H-indole

IUPAC name

2-methyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-23-dihydro-1H-indole

SMILES

CC(C1)N(C(c2cc(S(N3CCCCC3)(=O)=O)c[nH]2)=O)c2c1cccc2

InChI

InChI=1S/C19H23N3O3S/c1-14-11-15-7-3-4-8-18(15)22(14)19(23)17-12-16(13-20-17)26(24,25)21-9-5-2-6-10-21/h3-4,7-8,12-14,20H,2,5-6,9-11H2,1H3/t14-/m0/s1

InChI Key

BZIRYPVOYKPGIQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14893177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

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

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.55

Polar Surface Area

56.723

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

E511-4417 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 E511-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-4417?
Check Price and Availability of E511-4417, 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 E511-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-4417
  • 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 E511-4417 available by request