K788-8427 Screening compound: (2E)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-8427 Screening compound: (2E)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-8427 Screening compound: (2E)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8427
(2E)-4-[(2-fluorophenyl)methyl]-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]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

K788-8427

Molecular Formula

C31H26FN5O2S (C31 H26 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2/Sc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C31H26FN5O2S/c32-25-7-2-1-6-24(25)21-37-26-8-3-4-9-27(26)40-28(30(37)39)20-22-10-12-23(13-11-22)29(38)35-16-18-36(19-17-35)31-33-14-5-15-34-31/h1-15,20H,16-19,21H2

InChI Key

KAKUFFMIVVFXGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.497

Water Solubility, LogSw

-5.81

Polar Surface Area

53.340

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.10

References: we are preparing a list of scientific research reports with K788-8427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8427?
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What is the minimum amount of K788-8427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8427
  • 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 K788-8427 available by request