K788-2486 Screening compound: 2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

K788-2486 Screening compound: 2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
K788-2486 Screening compound: 2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2486
2-[(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(3,4-diethoxyphenyl)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

K788-2486

Molecular Formula

C29H29ClN2O4S (C29 H29 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(CN(c(cccc1)c1S/C1=C\c2cccc(Cl)c2)C1=O)=O)c1)c1OCC

InChI

InChI=1S/C29H29ClN2O4S/c1-3-35-24-13-12-20(17-25(24)36-4-2)14-15-31-28(33)19-32-23-10-5-6-11-26(23)37-27(29(32)34)18-21-8-7-9-22(30)16-21/h5-13,16-18H,3-4,14-15,19H2,1-2H3,(H,31,33)

InChI Key

SOUJPNLRFWYIPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.950

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.75

Polar Surface Area

53.803

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

K788-2486 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2486?
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What is the minimum amount of K788-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2486
  • 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 K788-2486 available by request