S008-0095 Screening compound: ethyl N-{10-[2-(dimethylamino)acetyl]-10H-phenothiazin-2-yl}carbamate

S008-0095 Screening compound: ethyl N-{10-[2-(dimethylamino)acetyl]-10H-phenothiazin-2-yl}carbamate
S008-0095 Screening compound: ethyl N-{10-[2-(dimethylamino)acetyl]-10H-phenothiazin-2-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound S008-0095
ethyl N-{10-[2-(dimethylamino)acetyl]-10H-phenothiazin-2-yl}carbamate

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

S008-0095

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

ethyl N-{10-[2-(dimethylamino)acetyl]-10H-phenothiazin-2-yl}carbamate

IUPAC name

ethyl N-{10-[2-(dimethylamino)acetyl]-10H-phenothiazin-2-yl}carbamate

SMILES

CCOC(Nc(cc1)cc2c1Sc(cccc1)c1N2C(CN(C)C)=O)=O

InChI

InChI=1S/C19H21N3O3S/c1-4-25-19(24)20-13-9-10-17-15(11-13)22(18(23)12-21(2)3)14-7-5-6-8-16(14)26-17/h5-11H,4,12H2,1-3H3,(H,20,24)

InChI Key

LGWVIIQGKLLMKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557243

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.47

Polar Surface Area

48.945

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

S008-0095 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with S008-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S008-0095?
Check Price and Availability of S008-0095, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S008-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S008-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S008-0095
  • 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 S008-0095 available by request