K783-5976 Screening compound: methyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

K783-5976 Screening compound: methyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
K783-5976 Screening compound: methyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-5976
methyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

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

K783-5976

Molecular Formula

C18H15NO3S (C18 H15 NO3 S)

Compound Name

methyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate

IUPAC name

methyl (2E)-2-[(2-methylphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxylate

SMILES

Cc1c(/C=C2/Sc(ccc(C(OC)=O)c3)c3NC2=O)cccc1

InChI

InChI=1S/C18H15NO3S/c1-11-5-3-4-6-12(11)10-16-17(20)19-14-9-13(18(21)22-2)7-8-15(14)23-16/h3-10H,1-2H3,(H,19,20)

InChI Key

YBCQNBVPWCOKQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

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

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.34

Polar Surface Area

46.018

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

-5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with K783-5976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-5976?
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What is the minimum amount of K783-5976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-5976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-5976
  • 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 K783-5976 available by request