E786-2039 Screening compound: methyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

E786-2039 Screening compound: methyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate
E786-2039 Screening compound: methyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2039
methyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

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

E786-2039

Molecular Formula

C20H15N3O6S2 (C20 H15 N3 O6 S2)

Compound Name

methyl 4-[5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

IUPAC name

methyl 4-[5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)thiophene-2-sulfonamido]benzoate

SMILES

COC(c(cc1)ccc1NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O)=O

InChI

InChI=1S/C20H15N3O6S2/c1-29-20(26)12-4-6-13(7-5-12)22-31(27,28)16-9-8-14(30-16)11-23-18(24)15-3-2-10-21-17(15)19(23)25/h2-10,22H,11H2,1H3

InChI Key

FGIAJEGBVINDTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.160

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-2.91

Polar Surface Area

102.242

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E786-2039 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E786-2039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2039?
Check Price and Availability of E786-2039, 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 E786-2039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2039
  • 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 E786-2039 available by request