F400-0464 Screening compound: 5-[(3-chlorophenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

F400-0464 Screening compound: 5-[(3-chlorophenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one
F400-0464 Screening compound: 5-[(3-chlorophenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F400-0464
5-[(3-chlorophenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-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

F400-0464

Molecular Formula

C26H21ClFN3O (C26 H21 ClFN3 O)

Compound Name

5-[(3-chlorophenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one

IUPAC name

5-[(3-chlorophenyl)methyl]-8-fluoro-3-(2-phenylpropyl)-3H4H5H-pyrimido[54-b]indol-4-one

SMILES

CC(CN(C=Nc1c2n(Cc3cccc(Cl)c3)c(cc3)c1cc3F)C2=O)c1ccccc1

InChI

InChI=1S/C26H21ClFN3O/c1-17(19-7-3-2-4-8-19)14-30-16-29-24-22-13-21(28)10-11-23(22)31(25(24)26(30)32)15-18-6-5-9-20(27)12-18/h2-13,16-17H,14-15H2,1H3/t17-/m0/s1

InChI Key

GUYOVCCYEZNPJW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27123946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.397

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-6.32

Polar Surface Area

24.928

Acid Dissociation Constant (pKa)

24.00

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with F400-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F400-0464?
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What is the minimum amount of F400-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F400-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F400-0464
  • 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 F400-0464 available by request