K788-9119 Screening compound: 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]benzamide

K788-9119 Screening compound: 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]benzamide
K788-9119 Screening compound: 4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9119
4-{[(2E)-4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(oxolan-2-yl)methyl]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

K788-9119

Molecular Formula

C29H28N2O3S (C29 H28 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(NCC3OCCC3)=O)C2=O)c1

InChI

InChI=1S/C29H28N2O3S/c1-20-6-4-7-22(16-20)19-31-25-9-2-3-10-26(25)35-27(29(31)33)17-21-11-13-23(14-12-21)28(32)30-18-24-8-5-15-34-24/h2-4,6-7,9-14,16-17,24H,5,8,15,18-19H2,1H3,(H,30,32)/t24-/m1/s1

InChI Key

YVFSNHZUJIEIFN-XMMPIXPASA-N

MDL Number (MFCD)

MFCD15108296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.339

Water Solubility, LogSw

-5.21

Polar Surface Area

48.137

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with K788-9119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9119?
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What is the minimum amount of K788-9119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9119
  • 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 K788-9119 available by request