E734-2656 Screening compound: ethyl 1-[4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzenesulfonyl]piperidine-4-carboxylate

E734-2656 Screening compound: ethyl 1-[4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzenesulfonyl]piperidine-4-carboxylate
E734-2656 Screening compound: ethyl 1-[4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzenesulfonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E734-2656
ethyl 1-[4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzenesulfonyl]piperidine-4-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

E734-2656

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

ethyl 1-[4-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)benzenesulfonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[4-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)benzenesulfonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1ccc(CN(C(c2c3nccc2)=O)C3=O)cc1)(=O)=O)=O

InChI

InChI=1S/C22H23N3O6S/c1-2-31-22(28)16-9-12-24(13-10-16)32(29,30)17-7-5-15(6-8-17)14-25-20(26)18-4-3-11-23-19(18)21(25)27/h3-8,11,16H,2,9-10,12-14H2,1H3

InChI Key

WZELFIFLTPLLDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.396

Distribution Coefficient, logD

1.396

Water Solubility, LogSw

-2.51

Polar Surface Area

91.865

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E734-2656 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E734-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E734-2656?
Check Price and Availability of E734-2656, 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 E734-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E734-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E734-2656
  • 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 E734-2656 available by request