K788-3100 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K788-3100 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K788-3100 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3100
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2Z)-2-[(4-ethylphenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]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

K788-3100

Molecular Formula

C29H30N2O4S (C29 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(/C=C2\Sc(cccc3)c3N(CC(NCCc(cc3)cc(OC)c3OC)=O)C2=O)cc1

InChI

InChI=1S/C29H30N2O4S/c1-4-20-9-11-21(12-10-20)18-27-29(33)31(23-7-5-6-8-26(23)36-27)19-28(32)30-16-15-22-13-14-24(34-2)25(17-22)35-3/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,30,32)

InChI Key

VHUWRGYMAHUCNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.851

Distribution Coefficient, logD

4.851

Water Solubility, LogSw

-4.41

Polar Surface Area

54.643

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K788-3100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3100?
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What is the minimum amount of K788-3100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3100
  • 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 K788-3100 available by request