K788-3043 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-3043 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-3043 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3043
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[(2E)-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

K788-3043

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CCNC(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)=O)c1)c1OC

InChI

InChI=1S/C26H24N2O4S/c1-31-21-12-9-18(15-22(21)32-2)13-14-27-25(29)19-10-7-17(8-11-19)16-24-26(30)28-20-5-3-4-6-23(20)33-24/h3-12,15-16H,13-14H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

WCRIOGAZAHKWOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-3.85

Polar Surface Area

64.360

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K788-3043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3043?
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What is the minimum amount of K788-3043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3043
  • 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 K788-3043 available by request