K788-7116 Screening compound: (2E)-N-[1-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K788-7116 Screening compound: (2E)-N-[1-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K788-7116 Screening compound: (2E)-N-[1-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-7116
(2E)-N-[1-(4-butoxyphenyl)ethyl]-4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-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

K788-7116

Molecular Formula

C30H29F3N2O3S (C30 H29 F3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(C(C)NC(c(cc2)cc(N(C)C3=O)c2S/C3=C/c2ccc(C(F)(F)F)cc2)=O)cc1

InChI

InChI=1S/C30H29F3N2O3S/c1-4-5-16-38-24-13-8-21(9-14-24)19(2)34-28(36)22-10-15-26-25(18-22)35(3)29(37)27(39-26)17-20-6-11-23(12-7-20)30(31,32)33/h6-15,17-19H,4-5,16H2,1-3H3,(H,34,36)/t19-/m0/s1

InChI Key

ZOVDNGPMBNWXCK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15106952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.920

Distribution Coefficient, logD

6.920

Water Solubility, LogSw

-5.59

Polar Surface Area

46.101

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

K788-7116 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 K788-7116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-7116?
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What is the minimum amount of K788-7116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-7116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-7116
  • 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 K788-7116 available by request