F400-0175 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F400-0175 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F400-0175 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F400-0175
3-[2-(3,4-dimethoxyphenyl)ethyl]-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

F400-0175

Molecular Formula

C28H24F3N3O3 (C28 H24 F3 N3 O3)

Compound Name

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

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-5-{[3-(trifluoromethyl)phenyl]methyl}-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc(ccc(CCN(C=Nc1c2n(Cc3cccc(C(F)(F)F)c3)c3c1cccc3)C2=O)c1)c1OC

InChI

InChI=1S/C28H24F3N3O3/c1-36-23-11-10-18(15-24(23)37-2)12-13-33-17-32-25-21-8-3-4-9-22(21)34(26(25)27(33)35)16-19-6-5-7-20(14-19)28(29,30)31/h3-11,14-15,17H,12-13,16H2,1-2H3

InChI Key

LPIFWRDNQBYLOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.113

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-5.45

Polar Surface Area

40.168

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

F400-0175 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F400-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F400-0175?
Check Price and Availability of F400-0175, 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 F400-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F400-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F400-0175
  • 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 F400-0175 available by request