E680-0066 Screening compound: ethyl 4-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate

E680-0066 Screening compound: ethyl 4-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate
E680-0066 Screening compound: ethyl 4-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E680-0066
ethyl 4-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}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

E680-0066

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

ethyl 4-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzoate

IUPAC name

ethyl 4-{[6-(4-methoxyphenyl)-5-oxo-5H6H7H-pyrrolo[34-b]pyridin-7-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(nccc1)c1C1=O)N1c(cc1)ccc1OC)=O

InChI

InChI=1S/C23H21N3O4/c1-3-30-23(28)15-6-8-16(9-7-15)25-21-20-19(5-4-14-24-20)22(27)26(21)17-10-12-18(29-2)13-11-17/h4-14,21,25H,3H2,1-2H3/t21-/m1/s1

InChI Key

ZLFKEFAKXGHEJL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14909631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.165

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.17

Polar Surface Area

62.597

Acid Dissociation Constant (pKa)

14.94

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

E680-0066 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Purinergic Library (3321 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E680-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E680-0066?
Check Price and Availability of E680-0066, 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 E680-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E680-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E680-0066
  • 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 E680-0066 available by request