K788-8654 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-propylbenzamide

K788-8654 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-propylbenzamide
K788-8654 Screening compound: 4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-propylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8654
4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-propylbenzamide

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

K788-8654

Molecular Formula

C26H23FN2O2S (C26 H23 FN2 O2 S)

Compound Name

4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-propylbenzamide

IUPAC name

4-{[(2Z)-4-[(2-fluorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-propylbenzamide

SMILES

CCCNC(c1ccc(/C=C2\Sc(cccc3)c3N(Cc(cccc3)c3F)C2=O)cc1)=O

InChI

InChI=1S/C26H23FN2O2S/c1-2-15-28-25(30)19-13-11-18(12-14-19)16-24-26(31)29(17-20-7-3-4-8-21(20)27)22-9-5-6-10-23(22)32-24/h3-14,16H,2,15,17H2,1H3,(H,28,30)

InChI Key

MLRWICBXOVHUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.45

Polar Surface Area

39.596

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with K788-8654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8654?
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What is the minimum amount of K788-8654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8654
  • 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 K788-8654 available by request