K784-8685 Screening compound: 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}-N-[(2,4,6-trifluorophenyl)methyl]acetamide

K784-8685 Screening compound: 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}-N-[(2,4,6-trifluorophenyl)methyl]acetamide
K784-8685 Screening compound: 2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}-N-[(2,4,6-trifluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8685
2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}-N-[(2,4,6-trifluorophenyl)methyl]acetamide

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

K784-8685

Molecular Formula

C23H24F3N3O4S2 (C23 H24 F3 N3 O4 S2)

Compound Name

2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}-N-[(2,4,6-trifluorophenyl)methyl]acetamide

IUPAC name

2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl}-N-[(246-trifluorophenyl)methyl]acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(N2CC(NCc(c(F)cc(F)c3)c3F)=O)c1SCC2=O)(=O)=O

InChI

InChI=1S/C23H24F3N3O4S2/c1-14-4-6-28(7-5-14)35(32,33)16-2-3-21-20(10-16)29(23(31)13-34-21)12-22(30)27-11-17-18(25)8-15(24)9-19(17)26/h2-3,8-10,14H,4-7,11-13H2,1H3,(H,27,30)

InChI Key

VNROLYUFRNVSPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.00

Polar Surface Area

71.801

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

K784-8685 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K784-8685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8685?
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What is the minimum amount of K784-8685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8685
  • 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 K784-8685 available by request