C796-0418 Screening compound: N-[(2-bromophenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C796-0418 Screening compound: N-[(2-bromophenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C796-0418 Screening compound: N-[(2-bromophenyl)methyl]-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0418
N-[(2-bromophenyl)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

C796-0418

Molecular Formula

C17H17BrN2OS (C17 H17 BrN2 OS)

Compound Name

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

IUPAC name

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

SMILES

CN1c(cc(cc2)C(NCc(cccc3)c3Br)=O)c2SCC1

InChI

InChI=1S/C17H17BrN2OS/c1-20-8-9-22-16-7-6-12(10-15(16)20)17(21)19-11-13-4-2-3-5-14(13)18/h2-7,10H,8-9,11H2,1H3,(H,19,21)

InChI Key

DYSPXEXBPDVXRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.630

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

23.50

C796-0418 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

STING Agonist Library (5895 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with C796-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0418?
Check Price and Availability of C796-0418, 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 C796-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0418
  • 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 C796-0418 available by request