G804-1718 Screening compound: methyl 4-({6-benzyl-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate

G804-1718 Screening compound: methyl 4-({6-benzyl-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate
G804-1718 Screening compound: methyl 4-({6-benzyl-5-oxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G804-1718
methyl 4-({6-benzyl-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

G804-1718

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(c1c2cccn1)N(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C22H19N3O3/c1-28-22(27)16-9-11-17(12-10-16)24-20-19-18(8-5-13-23-19)21(26)25(20)14-15-6-3-2-4-7-15/h2-13,20,24H,14H2,1H3/t20-/m1/s1

InChI Key

VXIBOPYSGBZQNE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15037808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-3.92

Polar Surface Area

56.085

Acid Dissociation Constant (pKa)

16.35

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

G804-1718 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with G804-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G804-1718?
Check Price and Availability of G804-1718, 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 G804-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G804-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G804-1718
  • 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 G804-1718 available by request