F394-0095 Screening compound: 2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

F394-0095 Screening compound: 2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
F394-0095 Screening compound: 2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0095
2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]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

F394-0095

Molecular Formula

C27H24N4O3S (C27 H24 N4 O3 S)

Compound Name

2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

COc1ccc(CN(C=Nc2c3n(CC(Nc4cccc(SC)c4)=O)c4c2cccc4)C3=O)cc1

InChI

InChI=1S/C27H24N4O3S/c1-34-20-12-10-18(11-13-20)15-30-17-28-25-22-8-3-4-9-23(22)31(26(25)27(30)33)16-24(32)29-19-6-5-7-21(14-19)35-2/h3-14,17H,15-16H2,1-2H3,(H,29,32)

InChI Key

ZSFOLESAQFOPQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.39

Polar Surface Area

55.622

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with F394-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0095?
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What is the minimum amount of F394-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0095
  • 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 F394-0095 available by request