C339-0014 Screening compound: 10-(4-ethoxyphenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C339-0014 Screening compound: 10-(4-ethoxyphenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C339-0014 Screening compound: 10-(4-ethoxyphenyl)-9,13-dimethyl-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 C339-0014
10-(4-ethoxyphenyl)-9,13-dimethyl-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

C339-0014

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

10-(4-ethoxyphenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

IUPAC name

10-(4-ethoxyphenyl)-913-dimethyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CCOc(cc1)ccc1N(C(C)(C(C)C1N2)Oc3c1cccc3)C2=S

InChI

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

InChI Key

SEKGAUKGAQZAPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749841

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

4.380

Distribution Coefficient, logD

4.380

Water Solubility, LogSw

-4.29

Polar Surface Area

27.636

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C339-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C339-0014?
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What is the minimum amount of C339-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C339-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C339-0014
  • 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 C339-0014 available by request