K788-9529 Screening compound: (2Z)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-9529 Screening compound: (2Z)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-9529 Screening compound: (2Z)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9529
(2Z)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-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

K788-9529

Molecular Formula

C26H22ClN3O2S (C26 H22 ClN3 O2 S)

Compound Name

(2Z)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(c(cc1)cc(NC2=O)c1S/C2=C\c1ccccc1)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C26H22ClN3O2S/c27-20-7-9-21(10-8-20)29-12-14-30(15-13-29)26(32)19-6-11-23-22(17-19)28-25(31)24(33-23)16-18-4-2-1-3-5-18/h1-11,16-17H,12-15H2,(H,28,31)

InChI Key

AGUDRJQFZJCPMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-6.01

Polar Surface Area

44.753

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K788-9529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9529?
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What is the minimum amount of K788-9529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9529
  • 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 K788-9529 available by request