G804-0012 Screening compound: 2-[4-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile

G804-0012 Screening compound: 2-[4-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile
G804-0012 Screening compound: 2-[4-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-0012
2-[4-({6-[(4-fluorophenyl)methyl]-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)phenyl]acetonitrile

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

G804-0012

Molecular Formula

C22H17FN4O (C22 H17 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

N#CCc(cc1)ccc1NC(c1c2cccn1)N(Cc(cc1)ccc1F)C2=O

InChI

InChI=1S/C22H17FN4O/c23-17-7-3-16(4-8-17)14-27-21(20-19(22(27)28)2-1-13-25-20)26-18-9-5-15(6-10-18)11-12-24/h1-10,13,21,26H,11,14H2/t21-/m0/s1

InChI Key

XBRJBGGCDVVHNT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15037439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.57

Polar Surface Area

52.403

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

G804-0012 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 G804-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-0012?
Check Price and Availability of G804-0012, 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 G804-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-0012
  • 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 G804-0012 available by request