F394-0240 Screening compound: 2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(3,4-dimethoxyphenyl)acetamide

F394-0240 Screening compound: 2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(3,4-dimethoxyphenyl)acetamide
F394-0240 Screening compound: 2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(3,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0240
2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(3,4-dimethoxyphenyl)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

F394-0240

Molecular Formula

C27H23FN4O4 (C27 H23 FN4 O4)

Compound Name

2-{3-benzyl-8-fluoro-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-(3,4-dimethoxyphenyl)acetamide

IUPAC name

2-{3-benzyl-8-fluoro-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}-N-(34-dimethoxyphenyl)acetamide

SMILES

COc(ccc(NC(Cn(c(cc1)c2cc1F)c1c2N=CN(Cc2ccccc2)C1=O)=O)c1)c1OC

InChI

InChI=1S/C27H23FN4O4/c1-35-22-11-9-19(13-23(22)36-2)30-24(33)15-32-21-10-8-18(28)12-20(21)25-26(32)27(34)31(16-29-25)14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,30,33)

InChI Key

LRFIBRMLTMOEGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11995572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.5

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

3.672

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.07

Polar Surface Area

63.339

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

F394-0240 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F394-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0240?
Check Price and Availability of F394-0240, 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 F394-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0240
  • 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 F394-0240 available by request