F394-0109 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

F394-0109 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide
F394-0109 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F394-0109
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}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

F394-0109

Molecular Formula

C27H22N4O5 (C27 H22 N4 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-5-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3H4H5H-pyrimido[54-b]indol-5-yl}acetamide

SMILES

COc1ccc(CN(C=Nc2c3n(CC(Nc(cc4)cc5c4OCO5)=O)c4c2cccc4)C3=O)cc1

InChI

InChI=1S/C27H22N4O5/c1-34-19-9-6-17(7-10-19)13-30-15-28-25-20-4-2-3-5-21(20)31(26(25)27(30)33)14-24(32)29-18-8-11-22-23(12-18)36-16-35-22/h2-12,15H,13-14,16H2,1H3,(H,29,32)

InChI Key

DYFWEHWTKZSUNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11994473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.772

Water Solubility, LogSw

-4.17

Polar Surface Area

72.737

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with F394-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F394-0109?
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What is the minimum amount of F394-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F394-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F394-0109
  • 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 F394-0109 available by request