K788-1073 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K788-1073 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K788-1073 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1073
N-[2-(4-chlorophenyl)ethyl]-2-[(2Z)-3-oxo-2-(phenylmethylidene)-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

K788-1073

Molecular Formula

C25H21ClN2O2S (C25 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cccc1)c1S/C1=C\c2ccccc2)C1=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C25H21ClN2O2S/c26-20-12-10-18(11-13-20)14-15-27-24(29)17-28-21-8-4-5-9-22(21)31-23(25(28)30)16-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29)

InChI Key

DGNCFGQITPHVQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.002

Distribution Coefficient, logD

5.002

Water Solubility, LogSw

-5.15

Polar Surface Area

39.383

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K788-1073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1073?
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What is the minimum amount of K788-1073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1073
  • 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 K788-1073 available by request