K783-6546 Screening compound: (2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid

K783-6546 Screening compound: (2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
K783-6546 Screening compound: (2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6546
(2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid

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

K783-6546

Molecular Formula

C24H19NO3S (C24 H19 NO3 S)

Compound Name

(2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid

IUPAC name

(2E)-4-[(3-methylphenyl)methyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxylic acid

SMILES

Cc1cccc(CN(c(cc(cc2)C(O)=O)c2S/C2=C/c3ccccc3)C2=O)c1

InChI

InChI=1S/C24H19NO3S/c1-16-6-5-9-18(12-16)15-25-20-14-19(24(27)28)10-11-21(20)29-22(23(25)26)13-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,27,28)

InChI Key

QDAKVADNRJOLCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.216

Distribution Coefficient, logD

3.531

Water Solubility, LogSw

-5.36

Polar Surface Area

43.478

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K783-6546 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K783-6546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6546?
Check Price and Availability of K783-6546, 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 K783-6546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6546
  • 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 K783-6546 available by request