6028-6563 Screening compound: N~1~-(sec-butyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

6028-6563 Screening compound: N~1~-(sec-butyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
6028-6563 Screening compound: N~1~-(sec-butyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6028-6563
N~1~-(sec-butyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)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

6028-6563

Molecular Formula

C13H16N2O4S (C13 H16 N2 O4 S)

Compound Name

N~1~-(sec-butyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(butan-2-yl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

CCC(C)NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C13H16N2O4S/c1-3-9(2)14-12(16)8-15-13(17)10-6-4-5-7-11(10)20(15,18)19/h4-7,9H,3,8H2,1-2H3,(H,14,16)/t9-/m0/s1

InChI Key

LMJQHPGMEIINIS-VIFPVBQESA-N

MDL Number (MFCD)

MFCD04664909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.535

Distribution Coefficient, logD

0.535

Water Solubility, LogSw

-2.46

Polar Surface Area

69.368

Acid Dissociation Constant (pKa)

16.27

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

6028-6563 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6028-6563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6028-6563?
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What is the minimum amount of 6028-6563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6028-6563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6028-6563
  • 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 6028-6563 available by request