E866-0218 Screening compound: N-[(2-methylphenyl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

E866-0218 Screening compound: N-[(2-methylphenyl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide
E866-0218 Screening compound: N-[(2-methylphenyl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E866-0218
N-[(2-methylphenyl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

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

E866-0218

Molecular Formula

C19H21N3O2S (C19 H21 N3 O2 S)

Compound Name

N-[(2-methylphenyl)methyl]-4-oxo-4-{1H,2H,3H-pyrido[2,3-b][1,4]thiazin-1-yl}butanamide

IUPAC name

N-[(2-methylphenyl)methyl]-4-oxo-4-{1H2H3H-pyrido[23-b][14]thiazin-1-yl}butanamide

SMILES

Cc1c(CNC(CCC(N2c3cccnc3SCC2)=O)=O)cccc1

InChI

InChI=1S/C19H21N3O2S/c1-14-5-2-3-6-15(14)13-21-17(23)8-9-18(24)22-11-12-25-19-16(22)7-4-10-20-19/h2-7,10H,8-9,11-13H2,1H3,(H,21,23)

InChI Key

YMHXROLJNISTBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.46

Polar Surface Area

50.548

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E866-0218 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E866-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E866-0218?
Check Price and Availability of E866-0218, 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 E866-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E866-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E866-0218
  • 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 E866-0218 available by request