K788-3030 Screening compound: (2E)-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-3030 Screening compound: (2E)-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-3030 Screening compound: (2E)-2-({4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3030
(2E)-2-({4-[4-(4-fluorophenyl)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

K788-3030

Molecular Formula

C26H22FN3O2S (C26 H22 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C26H22FN3O2S/c27-20-9-11-21(12-10-20)29-13-15-30(16-14-29)26(32)19-7-5-18(6-8-19)17-24-25(31)28-22-3-1-2-4-23(22)33-24/h1-12,17H,13-16H2,(H,28,31)

InChI Key

IGCWWHQTSMERBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

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

4.246

Distribution Coefficient, logD

4.246

Water Solubility, LogSw

-4.27

Polar Surface Area

44.753

Acid Dissociation Constant (pKa)

13.51

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 K788-3030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3030?
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What is the minimum amount of K788-3030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3030
  • 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 K788-3030 available by request