C796-0394 Screening compound: N-[(4-ethylphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C796-0394 Screening compound: N-[(4-ethylphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C796-0394 Screening compound: N-[(4-ethylphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0394
N-[(4-ethylphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

C796-0394

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

N-[(4-ethylphenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-[(4-ethylphenyl)methyl]-4-methyl-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCc1ccc(CNC(c(cc2)cc3c2SCCN3C)=O)cc1

InChI

InChI=1S/C19H22N2OS/c1-3-14-4-6-15(7-5-14)13-20-19(22)16-8-9-18-17(12-16)21(2)10-11-23-18/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,22)

InChI Key

JGSMOTJIDVZPIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-3.96

Polar Surface Area

27.201

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C796-0394 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C796-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0394?
Check Price and Availability of C796-0394, 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 C796-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0394
  • 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 C796-0394 available by request