F394-0453 Screening compound: N-[(furan-2-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

F394-0453 Screening compound: N-[(furan-2-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide
F394-0453 Screening compound: N-[(furan-2-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0453
N-[(furan-2-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

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

F394-0453

Molecular Formula

C26H24N4O4 (C26 H24 N4 O4)

Compound Name

N-[(furan-2-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

IUPAC name

N-[(furan-2-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}acetamide

SMILES

Cc(cc1)cc2c1n(CC(NCc1ccco1)=O)c1c2N=CN(Cc(cc2)ccc2OC)C1=O

InChI

InChI=1S/C26H24N4O4/c1-17-5-10-22-21(12-17)24-25(30(22)15-23(31)27-13-20-4-3-11-34-20)26(32)29(16-28-24)14-18-6-8-19(33-2)9-7-18/h3-12,16H,13-15H2,1-2H3,(H,27,31)

InChI Key

VMFGEEFTDOMPDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.05

Polar Surface Area

64.692

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

F394-0453 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with F394-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0453?
Check Price and Availability of F394-0453, 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 F394-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0453
  • 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 F394-0453 available by request