K788-1074 Screening compound: 2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide

K788-1074 Screening compound: 2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide
K788-1074 Screening compound: 2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1074
2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide

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

K788-1074

Molecular Formula

C25H22N2O2S (C25 H22 N2 O2 S)

Compound Name

2-[(2Z)-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide

IUPAC name

2-[(2Z)-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazin-4-yl]-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CN(c(cccc1)c1S/C1=C\c2ccccc2)C1=O)=O

InChI

InChI=1S/C25H22N2O2S/c1-18(20-12-6-3-7-13-20)26-24(28)17-27-21-14-8-9-15-22(21)30-23(25(27)29)16-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3,(H,26,28)/t18-/m0/s1

InChI Key

WQRBCBKZSYEBPJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15102853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

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

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-4.42

Polar Surface Area

38.704

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K788-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1074?
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What is the minimum amount of K788-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1074
  • 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 K788-1074 available by request