G804-0055 Screening compound: 7-[(4-bromo-3-methylphenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one

G804-0055 Screening compound: 7-[(4-bromo-3-methylphenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
G804-0055 Screening compound: 7-[(4-bromo-3-methylphenyl)amino]-6-[(4-fluorophenyl)methyl]-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-0055
7-[(4-bromo-3-methylphenyl)amino]-6-[(4-fluorophenyl)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

G804-0055

Molecular Formula

C21H17BrFN3O (C21 H17 BrFN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(c2ncccc22)N(Cc(cc3)ccc3F)C2=O)c1Br

InChI

InChI=1S/C21H17BrFN3O/c1-13-11-16(8-9-18(13)22)25-20-19-17(3-2-10-24-19)21(27)26(20)12-14-4-6-15(23)7-5-14/h2-11,20,25H,12H2,1H3/t20-/m0/s1

InChI Key

HMVGTLCPJNXRFA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15037463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.706

Distribution Coefficient, logD

4.706

Water Solubility, LogSw

-4.46

Polar Surface Area

34.911

Acid Dissociation Constant (pKa)

16.42

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

G804-0055 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 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 G804-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-0055?
Check Price and Availability of G804-0055, 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 G804-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-0055
  • 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 G804-0055 available by request