K788-7115 Screening compound: (2E)-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-7115 Screening compound: (2E)-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-7115 Screening compound: (2E)-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7115
(2E)-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-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

K788-7115

Molecular Formula

C26H22F3N5O2S (C26 H22 F3 N5 O2 S)

Compound Name

(2E)-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-4-methyl-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CN(c(cc(cc1)C(N(CC2)CCN2c2ncccn2)=O)c1S/C1=C/c2ccc(C(F)(F)F)cc2)C1=O

InChI

InChI=1S/C26H22F3N5O2S/c1-32-20-16-18(23(35)33-11-13-34(14-12-33)25-30-9-2-10-31-25)5-8-21(20)37-22(24(32)36)15-17-3-6-19(7-4-17)26(27,28)29/h2-10,15-16H,11-14H2,1H3

InChI Key

AEOAMGAERFSLQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.34

Polar Surface Area

53.378

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with K788-7115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7115?
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What is the minimum amount of K788-7115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7115
  • 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 K788-7115 available by request