K788-3049 Screening compound: 4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide

K788-3049 Screening compound: 4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide
K788-3049 Screening compound: 4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-3049
4-{[(2E)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-(4-phenylbutan-2-yl)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

K788-3049

Molecular Formula

C26H24N2O2S (C26 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CCc1ccccc1)NC(c1ccc(/C=C2/Sc(cccc3)c3NC2=O)cc1)=O

InChI

InChI=1S/C26H24N2O2S/c1-18(11-12-19-7-3-2-4-8-19)27-25(29)21-15-13-20(14-16-21)17-24-26(30)28-22-9-5-6-10-23(22)31-24/h2-10,13-18H,11-12H2,1H3,(H,27,29)(H,28,30)/t18-/m0/s1

InChI Key

RVKHRCUOFINIIB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15104192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.53

Polar Surface Area

48.699

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

K788-3049 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-3049?
Check Price and Availability of K788-3049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-3049
  • 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 K788-3049 available by request