K788-8500 Screening compound: ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate

K788-8500 Screening compound: ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate
K788-8500 Screening compound: ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8500
ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate

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

K788-8500

Molecular Formula

C28H32N2O6S (C28 H32 N2 O6 S)

Compound Name

ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carbonyl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c(cc1)cc(N(C)C2=O)c1S/C2=C/c(cc1)cc(OC)c1OCC)=O)=O

InChI

InChI=1S/C28H32N2O6S/c1-5-35-22-11-9-18(14-23(22)34-4)15-25-27(32)29(3)21-16-19(10-12-24(21)37-25)26(31)30-13-7-8-20(17-30)28(33)36-6-2/h9-12,14-16,20H,5-8,13,17H2,1-4H3/t20-/m0/s1

InChI Key

WXPIMOPZPSSCBQ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15107843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.88

Polar Surface Area

67.283

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

K788-8500 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-8500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8500?
Check Price and Availability of K788-8500, 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 K788-8500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8500
  • 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 K788-8500 available by request