K788-7112 Screening compound: (2E)-N-[1-(4-butoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-7112 Screening compound: (2E)-N-[1-(4-butoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-7112 Screening compound: (2E)-N-[1-(4-butoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7112
(2E)-N-[1-(4-butoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-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

K788-7112

Molecular Formula

C30H32N2O4S (C30 H32 N2 O4 S)

Compound Name

(2E)-N-[1-(4-butoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

(2E)-N-[1-(4-butoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CCCCOc1ccc(C(C)NC(c(cc2)cc(N(C)C3=O)c2S/C3=C/c(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C30H32N2O4S/c1-5-6-17-36-25-14-9-22(10-15-25)20(2)31-29(33)23-11-16-27-26(19-23)32(3)30(34)28(37-27)18-21-7-12-24(35-4)13-8-21/h7-16,18-20H,5-6,17H2,1-4H3,(H,31,33)/t20-/m0/s1

InChI Key

PYELXRLHVMTUES-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15106948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.030

Distribution Coefficient, logD

6.030

Water Solubility, LogSw

-5.36

Polar Surface Area

53.645

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

K788-7112 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-7112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7112?
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What is the minimum amount of K788-7112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7112
  • 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 K788-7112 available by request