K788-0934 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K788-0934 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K788-0934 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0934
N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-2-[(4-chlorophenyl)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

K788-0934

Molecular Formula

C29H29ClN2O3S (C29 H29 ClN2 O3 S)

Compound Name

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

IUPAC name

N-[1-(4-butoxyphenyl)ethyl]-2-[(2Z)-2-[(4-chlorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]acetamide

SMILES

CCCCOc1ccc(C(C)NC(CN(c(cccc2)c2S/C2=C\c(cc3)ccc3Cl)C2=O)=O)cc1

InChI

InChI=1S/C29H29ClN2O3S/c1-3-4-17-35-24-15-11-22(12-16-24)20(2)31-28(33)19-32-25-7-5-6-8-26(25)36-27(29(32)34)18-21-9-13-23(30)14-10-21/h5-16,18,20H,3-4,17,19H2,1-2H3,(H,31,33)/t20-/m0/s1

InChI Key

BHEPQLDZIYDEBU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15102756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.08

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.885

Distribution Coefficient, logD

6.885

Water Solubility, LogSw

-6.36

Polar Surface Area

46.122

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

K788-0934 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0934?
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What is the minimum amount of K788-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0934
  • 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 K788-0934 available by request