K788-2146 Screening compound: (2Z)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-2146 Screening compound: (2Z)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-2146 Screening compound: (2Z)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2146
(2Z)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)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

K788-2146

Molecular Formula

C29H28FN3O2S (C29 H28 FN3 O2 S)

Compound Name

(2Z)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2Z)-4-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2-[(2-fluorophenyl)methylidene]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

Cc1cc(N(CC2)CCN2C(CN(c(cccc2)c2S/C2=C\c(cccc3)c3F)C2=O)=O)c(C)cc1

InChI

InChI=1S/C29H28FN3O2S/c1-20-11-12-21(2)25(17-20)31-13-15-32(16-14-31)28(34)19-33-24-9-5-6-10-26(24)36-27(29(33)35)18-22-7-3-4-8-23(22)30/h3-12,17-18H,13-16,19H2,1-2H3

InChI Key

XCNQODFYSPLTAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.968

Distribution Coefficient, logD

5.968

Water Solubility, LogSw

-5.45

Polar Surface Area

34.421

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K788-2146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2146?
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What is the minimum amount of K788-2146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2146
  • 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 K788-2146 available by request