K788-9128 Screening compound: 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide

K788-9128 Screening compound: 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide
K788-9128 Screening compound: 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9128
4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide

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

K788-9128

Molecular Formula

C31H33N3O3S (C31 H33 N3 O3 S)

Compound Name

4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide

IUPAC name

4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}-N-[3-(morpholin-4-yl)propyl]benzamide

SMILES

Cc1cccc(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(NCCCN3CCOCC3)=O)C2=O)c1

InChI

InChI=1S/C31H33N3O3S/c1-23-6-4-7-25(20-23)22-34-27-8-2-3-9-28(27)38-29(31(34)36)21-24-10-12-26(13-11-24)30(35)32-14-5-15-33-16-18-37-19-17-33/h2-4,6-13,20-21H,5,14-19,22H2,1H3,(H,32,35)

InChI Key

DDOOKFIQPQFMJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-4.47

Polar Surface Area

51.215

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

References: we are preparing a list of scientific research reports with K788-9128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9128?
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What is the minimum amount of K788-9128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9128
  • 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 K788-9128 available by request