F394-0050 Screening compound: 2-{3-benzyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

F394-0050 Screening compound: 2-{3-benzyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
F394-0050 Screening compound: 2-{3-benzyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0050
2-{3-benzyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-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

F394-0050

Molecular Formula

C27H22N4O4 (C27 H22 N4 O4)

Compound Name

2-{3-benzyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{3-benzyl-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

O=C(Cn(c1c2cccc1)c1c2N=CN(Cc2ccccc2)C1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C27H22N4O4/c32-24(29-19-10-11-22-23(14-19)35-13-12-34-22)16-31-21-9-5-4-8-20(21)25-26(31)27(33)30(17-28-25)15-18-6-2-1-3-7-18/h1-11,14,17H,12-13,15-16H2,(H,29,32)

InChI Key

OCVFDSDDOGCDIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.929

Water Solubility, LogSw

-3.30

Polar Surface Area

63.901

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F394-0050 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with F394-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0050?
Check Price and Availability of F394-0050, 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 F394-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0050
  • 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 F394-0050 available by request