E511-3842 Screening compound: 4-phenyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,6-tetrahydropyridine

E511-3842 Screening compound: 4-phenyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,6-tetrahydropyridine
E511-3842 Screening compound: 4-phenyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3842
4-phenyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,6-tetrahydropyridine

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

E511-3842

Molecular Formula

C21H25N3O3S (C21 H25 N3 O3 S)

Compound Name

4-phenyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1,2,3,6-tetrahydropyridine

IUPAC name

4-phenyl-1-[4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-1236-tetrahydropyridine

SMILES

O=C(c1cc(S(N2CCCCC2)(=O)=O)c[nH]1)N(CC1)CC=C1c1ccccc1

InChI

InChI=1S/C21H25N3O3S/c25-21(23-13-9-18(10-14-23)17-7-3-1-4-8-17)20-15-19(16-22-20)28(26,27)24-11-5-2-6-12-24/h1,3-4,7-9,15-16,22H,2,5-6,10-14H2

InChI Key

DMBVXJDDPKBFEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.57

Polar Surface Area

58.482

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E511-3842 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E511-3842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3842?
Check Price and Availability of E511-3842, 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 E511-3842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3842
  • 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 E511-3842 available by request