K788-9309 Screening compound: 4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(propan-2-yl)benzamide

K788-9309 Screening compound: 4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(propan-2-yl)benzamide
K788-9309 Screening compound: 4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9309
4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(propan-2-yl)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

K788-9309

Molecular Formula

C27H26N2O2S (C27 H26 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)NC(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3c(C)cccc3)C2=O)cc1)=O

InChI

InChI=1S/C27H26N2O2S/c1-18(2)28-26(30)21-14-12-20(13-15-21)16-25-27(31)29(17-22-9-5-4-8-19(22)3)23-10-6-7-11-24(23)32-25/h4-16,18H,17H2,1-3H3,(H,28,30)

InChI Key

IIXAAIVCJPQCNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-5.54

Polar Surface Area

38.729

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-9309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9309?
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What is the minimum amount of K788-9309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9309
  • 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 K788-9309 available by request