K788-6189 Screening compound: N-cyclohexyl-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-6189 Screening compound: N-cyclohexyl-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-6189 Screening compound: N-cyclohexyl-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6189
N-cyclohexyl-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

K788-6189

Molecular Formula

C30H30N2O2S (C30 H30 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(NC3CCCCC3)=O)C2=O)cc1

InChI

InChI=1S/C30H30N2O2S/c1-21-11-13-23(14-12-21)20-32-26-9-5-6-10-27(26)35-28(30(32)34)19-22-15-17-24(18-16-22)29(33)31-25-7-3-2-4-8-25/h5-6,9-19,25H,2-4,7-8,20H2,1H3,(H,31,33)

InChI Key

MVUHVGXKQUBBMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.65

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

6.898

Distribution Coefficient, logD

6.898

Water Solubility, LogSw

-5.58

Polar Surface Area

39.208

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with K788-6189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6189?
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What is the minimum amount of K788-6189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6189
  • 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 K788-6189 available by request