F141-0108 Screening compound: 10-(3-ethylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

F141-0108 Screening compound: 10-(3-ethylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
F141-0108 Screening compound: 10-(3-ethylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound F141-0108
10-(3-ethylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

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

F141-0108

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

10-(3-ethylphenyl)-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

10-(3-ethylphenyl)-6-methoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCc1cccc(N(C(C)(CC2N3)Oc4c2cccc4OC)C3=S)c1

InChI

InChI=1S/C20H22N2O2S/c1-4-13-7-5-8-14(11-13)22-19(25)21-16-12-20(22,2)24-18-15(16)9-6-10-17(18)23-3/h5-11,16H,4,12H2,1-3H3,(H,21,25)

InChI Key

KMQONNJQWRQEOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.407

Distribution Coefficient, logD

4.407

Water Solubility, LogSw

-4.43

Polar Surface Area

27.229

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with F141-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F141-0108?
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What is the minimum amount of F141-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F141-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F141-0108
  • 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 F141-0108 available by request