C796-0237 Screening compound: N-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

C796-0237 Screening compound: N-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
C796-0237 Screening compound: N-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0237
N-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)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

C796-0237

Molecular Formula

C24H23BrN2OS (C24 H23 BrN2 OS)

Compound Name

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

IUPAC name

N-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1ccc(CN2c(cc(cc3)C(NCc4cccc(Br)c4)=O)c3SCC2)cc1

InChI

InChI=1S/C24H23BrN2OS/c1-17-5-7-18(8-6-17)16-27-11-12-29-23-10-9-20(14-22(23)27)24(28)26-15-19-3-2-4-21(25)13-19/h2-10,13-14H,11-12,15-16H2,1H3,(H,26,28)

InChI Key

YRNFNLGBCCAWLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.33

Polar Surface Area

27.215

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C796-0237 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C796-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0237?
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What is the minimum amount of C796-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0237
  • 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 C796-0237 available by request