K788-9064 Screening compound: (2E)-2-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-9064 Screening compound: (2E)-2-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-9064 Screening compound: (2E)-2-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9064
(2E)-2-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K788-9064

Molecular Formula

C34H37N3O2S (C34 H37 N3 O2 S)

Compound Name

(2E)-2-[(4-{[1,4'-bipiperidine]-1'-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[(4-{[14'-bipiperidine]-1'-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

Cc1c(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(N(CC3)CCC3N3CCCCC3)=O)C2=O)cccc1

InChI

InChI=1S/C34H37N3O2S/c1-25-9-3-4-10-28(25)24-37-30-11-5-6-12-31(30)40-32(34(37)39)23-26-13-15-27(16-14-26)33(38)36-21-17-29(18-22-36)35-19-7-2-8-20-35/h3-6,9-16,23,29H,2,7-8,17-22,24H2,1H3

InChI Key

COSMCYBHYWTIQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.524

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-5.50

Polar Surface Area

34.811

Acid Dissociation Constant (pKa)

26.58

Base Dissociation Constant (pKb)

10.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

K788-9064 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K788-9064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9064?
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What is the minimum amount of K788-9064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9064
  • 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 K788-9064 available by request