K788-9041 Screening compound: N-(2,2-diethoxyethyl)-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

K788-9041 Screening compound: N-(2,2-diethoxyethyl)-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
K788-9041 Screening compound: N-(2,2-diethoxyethyl)-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9041
N-(2,2-diethoxyethyl)-4-{[(2E)-4-[(2-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

K788-9041

Molecular Formula

C30H32N2O4S (C30 H32 N2 O4 S)

Compound Name

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

IUPAC name

N-(22-diethoxyethyl)-4-{[(2E)-4-[(2-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

CCOC(CNC(c1ccc(/C=C2/Sc(cccc3)c3N(Cc3c(C)cccc3)C2=O)cc1)=O)OCC

InChI

InChI=1S/C30H32N2O4S/c1-4-35-28(36-5-2)19-31-29(33)23-16-14-22(15-17-23)18-27-30(34)32(20-24-11-7-6-10-21(24)3)25-12-8-9-13-26(25)37-27/h6-18,28H,4-5,19-20H2,1-3H3,(H,31,33)

InChI Key

PKBFEMUMWIMLCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

5.628

Water Solubility, LogSw

-5.44

Polar Surface Area

54.408

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with K788-9041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9041?
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What is the minimum amount of K788-9041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9041
  • 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 K788-9041 available by request