K788-8502 Screening compound: ethyl 4-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate

K788-8502 Screening compound: ethyl 4-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate
K788-8502 Screening compound: ethyl 4-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8502
ethyl 4-[(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carbonyl]piperazine-1-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

K788-8502

Molecular Formula

C27H31N3O6S (C27 H31 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(c(cc1)cc(N(C)C2=O)c1S/C2=C/c(cc1)cc(OC)c1OCC)=O)=O

InChI

InChI=1S/C27H31N3O6S/c1-5-35-21-9-7-18(15-22(21)34-4)16-24-26(32)28(3)20-17-19(8-10-23(20)37-24)25(31)29-11-13-30(14-12-29)27(33)36-6-2/h7-10,15-17H,5-6,11-14H2,1-4H3

InChI Key

DDUOKTIBBZJSQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.48

Polar Surface Area

69.376

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

K788-8502 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 K788-8502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8502?
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What is the minimum amount of K788-8502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8502
  • 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 K788-8502 available by request