G804-0108 Screening compound: ethyl 2-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate

G804-0108 Screening compound: ethyl 2-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
G804-0108 Screening compound: ethyl 2-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-0108
ethyl 2-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate

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

G804-0108

Molecular Formula

C23H20FN3O3 (C23 H20 FN3 O3)

Compound Name

ethyl 2-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate

IUPAC name

ethyl 2-({6-[(4-fluorophenyl)methyl]-5-oxo-5H6H7H-pyrrolo[34-b]pyridin-7-yl}amino)benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c2cccn1)N(Cc(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C23H20FN3O3/c1-2-30-23(29)17-6-3-4-8-19(17)26-21-20-18(7-5-13-25-20)22(28)27(21)14-15-9-11-16(24)12-10-15/h3-13,21,26H,2,14H2,1H3/t21-/m0/s1

InChI Key

HVXPMBGYEZZFRC-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15037486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.10

Polar Surface Area

54.967

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

G804-0108 in Drug Discovery

Included in Screening Libraries

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
  • 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 G804-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-0108?
Check Price and Availability of G804-0108, 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 G804-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-0108
  • 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 G804-0108 available by request