3342-1916 Screening compound: N~11~-(2,6-diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide

3342-1916 Screening compound: N~11~-(2,6-diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
3342-1916 Screening compound: N~11~-(2,6-diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3342-1916
N~11~-(2,6-diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide

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

3342-1916

Molecular Formula

C22H27N3OS (C22 H27 N3 OS)

Compound Name

N~11~-(2,6-diethylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide

IUPAC name

N-(26-diethylphenyl)-6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-diene-11-carbothioamide

SMILES

CCc1cccc(CC)c1NC(N(CC(C1)CN23)CC1C3=CC=CC2=O)=S

InChI

InChI=1S/C22H27N3OS/c1-3-16-7-5-8-17(4-2)21(16)23-22(27)24-12-15-11-18(14-24)19-9-6-10-20(26)25(19)13-15/h5-10,15,18H,3-4,11-14H2,1-2H3,(H,23,27)

InChI Key

VUQZOWHNVAUKOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.27

Polar Surface Area

25.440

Acid Dissociation Constant (pKa)

15.39

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

3342-1916 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3342-1916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3342-1916?
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What is the minimum amount of 3342-1916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3342-1916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3342-1916
  • 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 3342-1916 available by request