G804-1418 Screening compound: 7-[(3-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-1418 Screening compound: 7-[(3-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-1418 Screening compound: 7-[(3-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-1418
7-[(3-methoxyphenyl)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

G804-1418

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

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

IUPAC name

7-[(3-methoxyphenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

COc1ccc(CN(C(c2c3cccn2)Nc2cc(OC)ccc2)C3=O)cc1

InChI

InChI=1S/C22H21N3O3/c1-27-17-10-8-15(9-11-17)14-25-21(20-19(22(25)26)7-4-12-23-20)24-16-5-3-6-18(13-16)28-2/h3-13,21,24H,14H2,1-2H3/t21-/m1/s1

InChI Key

OTWPWHXDNUPLTR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15037704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.552

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-3.75

Polar Surface Area

49.998

Acid Dissociation Constant (pKa)

17.06

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

G804-1418 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 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 G804-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-1418?
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What is the minimum amount of G804-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-1418
  • 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 G804-1418 available by request