0083-0118 Screening compound: 7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium

0083-0118 Screening compound: 7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium
0083-0118 Screening compound: 7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0118
7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium

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

0083-0118

Molecular Formula

C16H18N3S (C16 H18 N3 S)

Compound Name

7-(dimethylamino)-N,N-dimethyl-3H-phenothiazin-3-iminium

IUPAC name

7-(dimethylamino)-NN-dimethyl-3H-phenothiazin-3-iminium

SMILES

CN(C)c(cc1)cc(S2)c1N=C(C=C1)C2=CC1=[N+](C)C

InChI

InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1

InChI Key

RBTBFTRPCNLSDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804679

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

284.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

-1.479

Water Solubility, LogSw

-4.04

Polar Surface Area

14.658

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

12.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

0083-0118 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Phosphatases Annotated Library (206 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0083-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0118?
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What is the minimum amount of 0083-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0118
  • 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 0083-0118 available by request