C339-0025 Screening compound: 6-methoxy-10-(2-methoxyphenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione

C339-0025 Screening compound: 6-methoxy-10-(2-methoxyphenyl)-9,13-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-11-thione
C339-0025 Screening compound: 6-methoxy-10-(2-methoxyphenyl)-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 C339-0025
6-methoxy-10-(2-methoxyphenyl)-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

C339-0025

Molecular Formula

C20H22N2O3S (C20 H22 N2 O3 S)

Compound Name

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

IUPAC name

6-methoxy-10-(2-methoxyphenyl)-913-dimethyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-triene-11-thione

SMILES

CC(C1NC(N2c(cccc3)c3OC)=S)C2(C)Oc2c1cccc2OC

InChI

InChI=1S/C20H22N2O3S/c1-12-17-13-8-7-11-16(24-4)18(13)25-20(12,2)22(19(26)21-17)14-9-5-6-10-15(14)23-3/h5-12,17H,1-4H3,(H,21,26)

InChI Key

CHHARZCHSDTLHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-4.20

Polar Surface Area

35.156

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

C339-0025 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C339-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C339-0025?
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What is the minimum amount of C339-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C339-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C339-0025
  • 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 C339-0025 available by request