E680-0018 Screening compound: 7-[(3,5-dimethoxyphenyl)amino]-6-(4-methoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

E680-0018 Screening compound: 7-[(3,5-dimethoxyphenyl)amino]-6-(4-methoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
E680-0018 Screening compound: 7-[(3,5-dimethoxyphenyl)amino]-6-(4-methoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E680-0018
7-[(3,5-dimethoxyphenyl)amino]-6-(4-methoxyphenyl)-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

E680-0018

Molecular Formula

C22H21N3O4 (C22 H21 N3 O4)

Compound Name

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

IUPAC name

7-[(35-dimethoxyphenyl)amino]-6-(4-methoxyphenyl)-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

COc(cc1)ccc1N(C(c1c2cccn1)Nc1cc(OC)cc(OC)c1)C2=O

InChI

InChI=1S/C22H21N3O4/c1-27-16-8-6-15(7-9-16)25-21(20-19(22(25)26)5-4-10-23-20)24-14-11-17(28-2)13-18(12-14)29-3/h4-13,21,24H,1-3H3/t21-/m1/s1

InChI Key

YSIJYFSPJJAXBE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14909611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-3.79

Polar Surface Area

56.931

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

E680-0018 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 E680-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E680-0018?
Check Price and Availability of E680-0018, 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 E680-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E680-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E680-0018
  • 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 E680-0018 available by request