F141-0179 Screening compound: 10-(3,5-dimethylphenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

F141-0179 Screening compound: 10-(3,5-dimethylphenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
F141-0179 Screening compound: 10-(3,5-dimethylphenyl)-6-ethoxy-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 F141-0179
10-(3,5-dimethylphenyl)-6-ethoxy-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

F141-0179

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

10-(3,5-dimethylphenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

10-(35-dimethylphenyl)-6-ethoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCOc1cccc(C(C2)N3)c1OC2(C)N(c1cc(C)cc(C)c1)C3=S

InChI

InChI=1S/C21H24N2O2S/c1-5-24-18-8-6-7-16-17-12-21(4,25-19(16)18)23(20(26)22-17)15-10-13(2)9-14(3)11-15/h6-11,17H,5,12H2,1-4H3,(H,22,26)

InChI Key

SWUJZBAXSSFENC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

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

5.071

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-4.75

Polar Surface Area

26.809

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with F141-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F141-0179?
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What is the minimum amount of F141-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F141-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F141-0179
  • 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 F141-0179 available by request