K783-5226 Screening compound: methyl 4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate

K783-5226 Screening compound: methyl 4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate
K783-5226 Screening compound: methyl 4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5226
methyl 4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate

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

K783-5226

Molecular Formula

C17H13NO3S (C17 H13 NO3 S)

Compound Name

methyl 4-{[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(2Z)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C2\Sc(cccc3)c3NC2=O)cc1)=O

InChI

InChI=1S/C17H13NO3S/c1-21-17(20)12-8-6-11(7-9-12)10-15-16(19)18-13-4-2-3-5-14(13)22-15/h2-10H,1H3,(H,18,19)

InChI Key

CZBKZZMQYVFYPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-4.06

Polar Surface Area

46.018

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K783-5226 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K783-5226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5226?
Check Price and Availability of K783-5226, 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 K783-5226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5226
  • 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 K783-5226 available by request