F400-0028 Screening compound: 5-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F400-0028 Screening compound: 5-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F400-0028 Screening compound: 5-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F400-0028
5-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)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

F400-0028

Molecular Formula

C25H20FN3O2 (C25 H20 FN3 O2)

Compound Name

5-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

5-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

COc1ccc(CN(C=Nc2c3n(Cc(cccc4)c4F)c4c2cccc4)C3=O)cc1

InChI

InChI=1S/C25H20FN3O2/c1-31-19-12-10-17(11-13-19)14-28-16-27-23-20-7-3-5-9-22(20)29(24(23)25(28)30)15-18-6-2-4-8-21(18)26/h2-13,16H,14-15H2,1H3

InChI Key

NEFLJGPXJRSPQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.46

Polar Surface Area

32.472

Acid Dissociation Constant (pKa)

25.73

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F400-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F400-0028?
Check Price and Availability of F400-0028, 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 F400-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F400-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F400-0028
  • 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 F400-0028 available by request