K788-8478 Screening compound: (2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

K788-8478 Screening compound: (2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
K788-8478 Screening compound: (2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-8478
(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

K788-8478

Molecular Formula

C32H35N3O4S (C32 H35 N3 O4 S)

Compound Name

(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

(2E)-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CCOc(ccc(/C=C1/Sc(ccc(C(N(CC2)CC(C)N2c2cc(C)ccc2)=O)c2)c2N(C)C1=O)c1)c1OC

InChI

InChI=1S/C32H35N3O4S/c1-6-39-27-12-10-23(17-28(27)38-5)18-30-32(37)33(4)26-19-24(11-13-29(26)40-30)31(36)34-14-15-35(22(3)20-34)25-9-7-8-21(2)16-25/h7-13,16-19,22H,6,14-15,20H2,1-5H3/t22-/m0/s1

InChI Key

CSNCCLSQGDOPPR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15107822

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.150

Distribution Coefficient, logD

5.150

Water Solubility, LogSw

-4.97

Polar Surface Area

49.074

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with K788-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8478?
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What is the minimum amount of K788-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-8478
  • 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 K788-8478 available by request