K783-6412 Screening compound: methyl 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate

K783-6412 Screening compound: methyl 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate
K783-6412 Screening compound: methyl 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-6412
methyl 4-{[(2E)-4-[(3-methylphenyl)methyl]-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

K783-6412

Molecular Formula

C25H21NO3S (C25 H21 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(OC)=O)C2=O)c1

InChI

InChI=1S/C25H21NO3S/c1-17-6-5-7-19(14-17)16-26-21-8-3-4-9-22(21)30-23(24(26)27)15-18-10-12-20(13-11-18)25(28)29-2/h3-15H,16H2,1-2H3

InChI Key

KZKBCAFTVRXWJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.382

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-5.57

Polar Surface Area

36.243

Acid Dissociation Constant (pKa)

26.95

Base Dissociation Constant (pKb)

-5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K783-6412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-6412?
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What is the minimum amount of K783-6412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-6412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-6412
  • 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 K783-6412 available by request