K788-7142 Screening compound: (2E)-6-(4-benzylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-7142 Screening compound: (2E)-6-(4-benzylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-7142 Screening compound: (2E)-6-(4-benzylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7142
(2E)-6-(4-benzylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methylidene]-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

K788-7142

Molecular Formula

C28H27N3O3S (C28 H27 N3 O3 S)

Compound Name

(2E)-6-(4-benzylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-6-(4-benzylpiperazine-1-carbonyl)-2-[(4-methoxyphenyl)methylidene]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

COc1ccc(/C=C2/Sc(ccc(C(N3CCN(Cc4ccccc4)CC3)=O)c3)c3NC2=O)cc1

InChI

InChI=1S/C28H27N3O3S/c1-34-23-10-7-20(8-11-23)17-26-27(32)29-24-18-22(9-12-25(24)35-26)28(33)31-15-13-30(14-16-31)19-21-5-3-2-4-6-21/h2-12,17-18H,13-16,19H2,1H3,(H,29,32)

InChI Key

YMVDDVIQXVZNQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.20

Polar Surface Area

52.577

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with K788-7142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7142?
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What is the minimum amount of K788-7142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7142
  • 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 K788-7142 available by request