C796-0359 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C796-0359 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C796-0359 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0359
N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethyl-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

C796-0359

Molecular Formula

C19H21BrN2O2S (C19 H21 BrN2 O2 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-4-ethyl-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCN1c(cc(cc2)C(NCc(cc(cc3)Br)c3OC)=O)c2SCC1

InChI

InChI=1S/C19H21BrN2O2S/c1-3-22-8-9-25-18-7-4-13(11-16(18)22)19(23)21-12-14-10-15(20)5-6-17(14)24-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,23)

InChI Key

QJZBHDAQFPEXTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.23

Polar Surface Area

34.841

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C796-0359 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C796-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0359?
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What is the minimum amount of C796-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0359
  • 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 C796-0359 available by request