E786-2195 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

E786-2195 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide
E786-2195 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2195
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

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

E786-2195

Molecular Formula

C24H20FN3O4S (C24 H20 FN3 O4 S)

Compound Name

2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

IUPAC name

2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluoro-N-(1234-tetrahydronaphthalen-1-yl)benzene-1-sulfonamide

SMILES

O=C(c1c2nccc1)N(Cc(ccc(F)c1)c1S(NC(CCC1)c3c1cccc3)(=O)=O)C2=O

InChI

InChI=1S/C24H20FN3O4S/c25-17-11-10-16(14-28-23(29)19-8-4-12-26-22(19)24(28)30)21(13-17)33(31,32)27-20-9-3-6-15-5-1-2-7-18(15)20/h1-2,4-5,7-8,10-13,20,27H,3,6,9,14H2/t20-/m0/s1

InChI Key

FMVLUQGHYPRPRG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14919156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.59

Polar Surface Area

81.216

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

E786-2195 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E786-2195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2195?
Check Price and Availability of E786-2195, 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 E786-2195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2195
  • 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 E786-2195 available by request