K788-9407 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9407 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9407 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9407
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

K788-9407

Molecular Formula

C37H38N4O2S (C37 H38 N4 O2 S)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

Cc1c(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(NCCN3CCN(Cc4ccccc4)CC3)=O)C2=O)cccc1

InChI

InChI=1S/C37H38N4O2S/c1-28-9-5-6-12-32(28)27-41-33-13-7-8-14-34(33)44-35(37(41)43)25-29-15-17-31(18-16-29)36(42)38-19-20-39-21-23-40(24-22-39)26-30-10-3-2-4-11-30/h2-18,25H,19-24,26-27H2,1H3,(H,38,42)

InChI Key

GOYRJIYVMNQWSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.244

Distribution Coefficient, logD

6.106

Water Solubility, LogSw

-5.50

Polar Surface Area

46.847

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.30

References: we are preparing a list of scientific research reports with K788-9407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9407?
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What is the minimum amount of K788-9407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9407
  • 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 K788-9407 available by request