K784-7559 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

K784-7559 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
K784-7559 Screening compound: N-{3-[benzyl(propan-2-yl)amino]propyl}-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7559
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-[(2,5-dimethylphenyl)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

K784-7559

Molecular Formula

C31H37N3O2S (C31 H37 N3 O2 S)

Compound Name

N-{3-[benzyl(propan-2-yl)amino]propyl}-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide

IUPAC name

N-{3-[benzyl(propan-2-yl)amino]propyl}-4-[(25-dimethylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazine-6-carboxamide

SMILES

CC(C)N(CCCNC(c(cc1)cc(N2Cc3c(C)ccc(C)c3)c1SCC2=O)=O)Cc1ccccc1

InChI

InChI=1S/C31H37N3O2S/c1-22(2)33(19-25-9-6-5-7-10-25)16-8-15-32-31(36)26-13-14-29-28(18-26)34(30(35)21-37-29)20-27-17-23(3)11-12-24(27)4/h5-7,9-14,17-18,22H,8,15-16,19-21H2,1-4H3,(H,32,36)

InChI Key

FLVLRDFXRUTUNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.783

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-5.33

Polar Surface Area

43.471

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

K784-7559 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-7559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7559?
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What is the minimum amount of K784-7559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7559
  • 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 K784-7559 available by request