G804-1494 Screening compound: 7-[(3,4-dichlorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-1494 Screening compound: 7-[(3,4-dichlorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-1494 Screening compound: 7-[(3,4-dichlorophenyl)amino]-6-[(4-methoxyphenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-1494
7-[(3,4-dichlorophenyl)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

G804-1494

Molecular Formula

C21H17Cl2N3O2 (C21 H17 Cl2 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CN(C(c2ncccc22)Nc(cc3)cc(Cl)c3Cl)C2=O)cc1

InChI

InChI=1S/C21H17Cl2N3O2/c1-28-15-7-4-13(5-8-15)12-26-20(19-16(21(26)27)3-2-10-24-19)25-14-6-9-17(22)18(23)11-14/h2-11,20,25H,12H2,1H3/t20-/m0/s1

InChI Key

XQYSXEFCJTXLML-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15037750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.959

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-5.04

Polar Surface Area

42.455

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

G804-1494 in Drug Discovery

Included in Screening Libraries

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 G804-1494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-1494?
Check Price and Availability of G804-1494, 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 G804-1494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-1494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-1494
  • 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 G804-1494 available by request