K788-6255 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-6255 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-6255 Screening compound: N-[2-(4-methylphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6255
N-[2-(4-methylphenyl)ethyl]-4-{[(2E)-4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]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

K788-6255

Molecular Formula

C33H30N2O2S (C33 H30 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CCNC(c2ccc(/C=C3/Sc(cccc4)c4N(Cc4ccc(C)cc4)C3=O)cc2)=O)cc1

InChI

InChI=1S/C33H30N2O2S/c1-23-7-11-25(12-8-23)19-20-34-32(36)28-17-15-26(16-18-28)21-31-33(37)35(22-27-13-9-24(2)10-14-27)29-5-3-4-6-30(29)38-31/h3-18,21H,19-20,22H2,1-2H3,(H,34,36)

InChI Key

WFRSOLSUOUBQQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.922

Distribution Coefficient, logD

6.922

Water Solubility, LogSw

-5.71

Polar Surface Area

39.324

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

References: we are preparing a list of scientific research reports with K788-6255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6255?
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What is the minimum amount of K788-6255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6255
  • 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 K788-6255 available by request