K788-9045 Screening compound: N-butyl-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9045 Screening compound: N-butyl-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9045 Screening compound: N-butyl-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9045
N-butyl-4-{[(2E)-4-[(2-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

K788-9045

Molecular Formula

C28H28N2O2S (C28 H28 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3c(C)cccc3)C2=O)cc1)=O

InChI

InChI=1S/C28H28N2O2S/c1-3-4-17-29-27(31)22-15-13-21(14-16-22)18-26-28(32)30(19-23-10-6-5-9-20(23)2)24-11-7-8-12-25(24)33-26/h5-16,18H,3-4,17,19H2,1-2H3,(H,29,31)

InChI Key

FHHOYLMFDBKISR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.573

Distribution Coefficient, logD

6.573

Water Solubility, LogSw

-5.66

Polar Surface Area

39.596

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K788-9045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9045?
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What is the minimum amount of K788-9045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9045
  • 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 K788-9045 available by request