K788-9500 Screening compound: (2Z)-N-[3-(cyclohexylsulfanyl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-9500 Screening compound: (2Z)-N-[3-(cyclohexylsulfanyl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-9500 Screening compound: (2Z)-N-[3-(cyclohexylsulfanyl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9500
(2Z)-N-[3-(cyclohexylsulfanyl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

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

K788-9500

Molecular Formula

C25H28N2O2S2 (C25 H28 N2 O2 S2)

Compound Name

(2Z)-N-[3-(cyclohexylsulfanyl)propyl]-3-oxo-2-(phenylmethylidene)-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2Z)-N-[3-(cyclohexylsulfanyl)propyl]-3-oxo-2-(phenylmethylidene)-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

O=C(c(cc1)cc(NC2=O)c1S/C2=C\c1ccccc1)NCCCSC1CCCCC1

InChI

InChI=1S/C25H28N2O2S2/c28-24(26-14-7-15-30-20-10-5-2-6-11-20)19-12-13-22-21(17-19)27-25(29)23(31-22)16-18-8-3-1-4-9-18/h1,3-4,8-9,12-13,16-17,20H,2,5-7,10-11,14-15H2,(H,26,28)(H,27,29)

InChI Key

NSDXPEYZNTZIFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.598

Distribution Coefficient, logD

5.598

Water Solubility, LogSw

-5.80

Polar Surface Area

49.291

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K788-9500 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K788-9500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9500?
Check Price and Availability of K788-9500, 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 K788-9500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9500
  • 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 K788-9500 available by request