C446-0155 Screening compound: 6-methyl-14-(2-methylphenyl)-2-oxa-14,16-diazatetracyclo[7.4.3.0~1,10~.0~3,8~]hexadeca-3,5,7-triene-15-thione

C446-0155 Screening compound: 6-methyl-14-(2-methylphenyl)-2-oxa-14,16-diazatetracyclo[7.4.3.0~1,10~.0~3,8~]hexadeca-3,5,7-triene-15-thione
C446-0155 Screening compound: 6-methyl-14-(2-methylphenyl)-2-oxa-14,16-diazatetracyclo[7.4.3.0~1,10~.0~3,8~]hexadeca-3,5,7-triene-15-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C446-0155
6-methyl-14-(2-methylphenyl)-2-oxa-14,16-diazatetracyclo[7.4.3.0~1,10~.0~3,8~]hexadeca-3,5,7-triene-15-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

C446-0155

Molecular Formula

C21H22N2OS (C21 H22 N2 OS)

Compound Name

6-methyl-14-(2-methylphenyl)-2-oxa-14,16-diazatetracyclo[7.4.3.0~1,10~.0~3,8~]hexadeca-3,5,7-triene-15-thione

IUPAC name

6-methyl-14-(2-methylphenyl)-2-oxa-1416-diazatetracyclo[7.4.3.0^{110}.0^{38}]hexadeca-357-triene-15-thione

SMILES

Cc(cc1)cc(C(C2CCC3)N4)c1OC23N(c1c(C)cccc1)C4=S

InChI

InChI=1S/C21H22N2OS/c1-13-9-10-18-15(12-13)19-16-7-5-11-21(16,24-18)23(20(25)22-19)17-8-4-3-6-14(17)2/h3-4,6,8-10,12,16,19H,5,7,11H2,1-2H3,(H,22,25)

InChI Key

RUZJPNDXKAJDBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.66

Polar Surface Area

20.420

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.10

C446-0155 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C446-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C446-0155?
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What is the minimum amount of C446-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C446-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C446-0155
  • 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 C446-0155 available by request