K788-1136 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide

K788-1136 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetamide
K788-1136 Screening compound: N-[2-(4-benzylpiperidin-1-yl)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 K788-1136
N-[2-(4-benzylpiperidin-1-yl)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

K788-1136

Molecular Formula

C31H33N3O2S (C31 H33 N3 O2 S)

Compound Name

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

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)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)NCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C31H33N3O2S/c35-30(32-17-20-33-18-15-26(16-19-33)21-24-9-3-1-4-10-24)23-34-27-13-7-8-14-28(27)37-29(31(34)36)22-25-11-5-2-6-12-25/h1-14,22,26H,15-21,23H2,(H,32,35)

InChI Key

JNVLGQHSAYHYAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.684

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-5.83

Polar Surface Area

43.094

Acid Dissociation Constant (pKa)

14.05

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with K788-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1136?
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What is the minimum amount of K788-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1136
  • 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 K788-1136 available by request