K788-8864 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[3-(morpholin-4-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-8864 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[3-(morpholin-4-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-8864 Screening compound: (2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[3-(morpholin-4-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8864
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[3-(morpholin-4-yl)propyl]-3-oxo-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

K788-8864

Molecular Formula

C25H29N3O5S (C25 H29 N3 O5 S)

Compound Name

(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-N-[3-(morpholin-4-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-2-[(34-dimethoxyphenyl)methylidene]-N-[3-(morpholin-4-yl)propyl]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

COc(ccc(/C=C1/Sc(ccc(C(NCCCN2CCOCC2)=O)c2)c2NC1=O)c1)c1OC

InChI

InChI=1S/C25H29N3O5S/c1-31-20-6-4-17(14-21(20)32-2)15-23-25(30)27-19-16-18(5-7-22(19)34-23)24(29)26-8-3-9-28-10-12-33-13-11-28/h4-7,14-16H,3,8-13H2,1-2H3,(H,26,29)(H,27,30)

InChI Key

DOKBOXQBDXUACD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

1.982

Water Solubility, LogSw

-2.98

Polar Surface Area

76.251

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

K788-8864 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-8864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8864?
Check Price and Availability of K788-8864, 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 K788-8864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8864
  • 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 K788-8864 available by request