G804-1467 Screening compound: 7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-1467 Screening compound: 7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-1467 Screening compound: 7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-1467
7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-[(4-methoxyphenyl)methyl]-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

G804-1467

Molecular Formula

C23H21N3O4 (C23 H21 N3 O4)

Compound Name

7-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

7-[(23-dihydro-14-benzodioxin-6-yl)amino]-6-[(4-methoxyphenyl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

COc1ccc(CN(C(c2c3cccn2)Nc(cc2)cc4c2OCCO4)C3=O)cc1

InChI

InChI=1S/C23H21N3O4/c1-28-17-7-4-15(5-8-17)14-26-22(21-18(23(26)27)3-2-10-24-21)25-16-6-9-19-20(13-16)30-12-11-29-19/h2-10,13,22,25H,11-12,14H2,1H3/t22-/m1/s1

InChI Key

BIXCUEAJRALHRL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15037735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.458

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.96

Polar Surface Area

58.278

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

G804-1467 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G804-1467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-1467?
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What is the minimum amount of G804-1467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-1467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-1467
  • 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 G804-1467 available by request