E680-0004 Screening compound: 1,3-dimethyl 5-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzene-1,3-dicarboxylate

E680-0004 Screening compound: 1,3-dimethyl 5-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzene-1,3-dicarboxylate
E680-0004 Screening compound: 1,3-dimethyl 5-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E680-0004
1,3-dimethyl 5-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzene-1,3-dicarboxylate

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

E680-0004

Molecular Formula

C24H21N3O6 (C24 H21 N3 O6)

Compound Name

1,3-dimethyl 5-{[6-(4-methoxyphenyl)-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl]amino}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{[6-(4-methoxyphenyl)-5-oxo-5H6H7H-pyrrolo[34-b]pyridin-7-yl]amino}benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(c(nccc2)c2C2=O)N2c(cc2)ccc2OC)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C24H21N3O6/c1-31-18-8-6-17(7-9-18)27-21(20-19(22(27)28)5-4-10-25-20)26-16-12-14(23(29)32-2)11-15(13-16)24(30)33-3/h4-13,21,26H,1-3H3/t21-/m1/s1

InChI Key

WZEDPJJNNFDDGG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14909604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.17

Polar Surface Area

84.191

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E680-0004 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 E680-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E680-0004?
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What is the minimum amount of E680-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E680-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E680-0004
  • 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 E680-0004 available by request