F400-0152 Screening compound: 3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F400-0152 Screening compound: 3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F400-0152 Screening compound: 3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F400-0152
3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

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

F400-0152

Molecular Formula

C26H20F3N3O (C26 H20 F3 N3 O)

Compound Name

3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

3-(2-phenylethyl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

O=C1N(CCc2ccccc2)C=Nc2c1n(Cc1cccc(C(F)(F)F)c1)c1c2cccc1

InChI

InChI=1S/C26H20F3N3O/c27-26(28,29)20-10-6-9-19(15-20)16-32-22-12-5-4-11-21(22)23-24(32)25(33)31(17-30-23)14-13-18-7-2-1-3-8-18/h1-12,15,17H,13-14,16H2

InChI Key

UQVSBKMJHIUOPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

5.596

Water Solubility, LogSw

-6.31

Polar Surface Area

24.907

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F400-0152 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F400-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F400-0152?
Check Price and Availability of F400-0152, 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 F400-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F400-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F400-0152
  • 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 F400-0152 available by request