K788-9297 Screening compound: 4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(pyridin-3-yl)methyl]benzamide

K788-9297 Screening compound: 4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(pyridin-3-yl)methyl]benzamide
K788-9297 Screening compound: 4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9297
4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[(pyridin-3-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

K788-9297

Molecular Formula

C30H25N3O2S (C30 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CN(c(cccc2)c2S/C2=C/c(cc3)ccc3C(NCc3cnccc3)=O)C2=O)cccc1

InChI

InChI=1S/C30H25N3O2S/c1-21-7-2-3-9-25(21)20-33-26-10-4-5-11-27(26)36-28(30(33)35)17-22-12-14-24(15-13-22)29(34)32-19-23-8-6-16-31-18-23/h2-18H,19-20H2,1H3,(H,32,34)

InChI Key

CDXJVBKJKGYVLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

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

5.533

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-5.13

Polar Surface Area

49.001

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with K788-9297 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of K788-9297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9297
  • 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 K788-9297 available by request