E786-2120 Screening compound: ethyl 1-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonyl]piperidine-4-carboxylate

E786-2120 Screening compound: ethyl 1-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonyl]piperidine-4-carboxylate
E786-2120 Screening compound: ethyl 1-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2120
ethyl 1-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonyl]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

E786-2120

Molecular Formula

C22H22FN3O6S (C22 H22 FN3 O6 S)

Compound Name

ethyl 1-[2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonyl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluorobenzenesulfonyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1S(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O)=O

InChI

InChI=1S/C22H22FN3O6S/c1-2-32-22(29)14-7-10-25(11-8-14)33(30,31)18-12-16(23)6-5-15(18)13-26-20(27)17-4-3-9-24-19(17)21(26)28/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3

InChI Key

SGNLDHLKVGPQFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

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

1.468

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-2.57

Polar Surface Area

91.865

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E786-2120 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E786-2120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2120?
Check Price and Availability of E786-2120, 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 E786-2120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2120
  • 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 E786-2120 available by request