E680-0062 Screening compound: 6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

E680-0062 Screening compound: 6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
E680-0062 Screening compound: 6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E680-0062
6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

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

E680-0062

Molecular Formula

C21H19N3O3 (C21 H19 N3 O3)

Compound Name

6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)amino]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

6-(4-methoxyphenyl)-7-[(4-methoxyphenyl)amino]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-26-16-9-5-14(6-10-16)23-20-19-18(4-3-13-22-19)21(25)24(20)15-7-11-17(27-2)12-8-15/h3-13,20,23H,1-2H3/t20-/m1/s1

InChI Key

SEVHCSAHXUJXCD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14909629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.67

Polar Surface Area

49.387

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

E680-0062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E680-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E680-0062?
Check Price and Availability of E680-0062, 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 E680-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E680-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E680-0062
  • 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 E680-0062 available by request