K788-2093 Screening compound: (2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-2093 Screening compound: (2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-2093 Screening compound: (2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2093
(2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]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

K788-2093

Molecular Formula

C29H26F3N3O2S (C29 H26 F3 N3 O2 S)

Compound Name

(2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN(c(cccc1)c1S/C1=C\c2ccc(C(F)(F)F)cc2)C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C29H26F3N3O2S/c30-29(31,32)23-12-10-21(11-13-23)18-26-28(37)35(24-8-4-5-9-25(24)38-26)20-27(36)34-16-14-33(15-17-34)19-22-6-2-1-3-7-22/h1-13,18H,14-17,19-20H2

InChI Key

CJDXXKCHRJFZFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.168

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-5.37

Polar Surface Area

35.002

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K788-2093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2093?
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What is the minimum amount of K788-2093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2093
  • 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 K788-2093 available by request