K784-8602 Screening compound: 4-[(3-methylphenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K784-8602 Screening compound: 4-[(3-methylphenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K784-8602 Screening compound: 4-[(3-methylphenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8602
4-[(3-methylphenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-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

K784-8602

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

4-[(3-methylphenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

4-[(3-methylphenyl)methyl]-3-oxo-N-(prop-2-en-1-yl)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

Cc1cccc(CN2c(cc(cc3)C(NCC=C)=O)c3SCC2=O)c1

InChI

InChI=1S/C20H20N2O2S/c1-3-9-21-20(24)16-7-8-18-17(11-16)22(19(23)13-25-18)12-15-6-4-5-14(2)10-15/h3-8,10-11H,1,9,12-13H2,2H3,(H,21,24)

InChI Key

NKAIAVBNYAEODH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.82

Polar Surface Area

40.145

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K784-8602 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 K784-8602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8602?
Check Price and Availability of K784-8602, 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 K784-8602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8602
  • 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 K784-8602 available by request