K788-1441 Screening compound: 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide

K788-1441 Screening compound: 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide
K788-1441 Screening compound: 2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1441
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide

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

K788-1441

Molecular Formula

C27H26N2O3S (C27 H26 N2 O3 S)

Compound Name

2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide

IUPAC name

2-[(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-[2-(3-methylphenyl)ethyl]acetamide

SMILES

Cc1cccc(CCNC(CN(c(cccc2)c2S/C2=C\c(cc3)ccc3OC)C2=O)=O)c1

InChI

InChI=1S/C27H26N2O3S/c1-19-6-5-7-20(16-19)14-15-28-26(30)18-29-23-8-3-4-9-24(23)33-25(27(29)31)17-21-10-12-22(32-2)13-11-21/h3-13,16-17H,14-15,18H2,1-2H3,(H,28,30)

InChI Key

XUPFCJCHEVWEGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.976

Distribution Coefficient, logD

4.976

Water Solubility, LogSw

-4.51

Polar Surface Area

46.926

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-1441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1441?
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What is the minimum amount of K788-1441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1441
  • 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 K788-1441 available by request