C797-1568 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}-N~1~-(4-ethylbenzyl)acetamide

C797-1568 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}-N~1~-(4-ethylbenzyl)acetamide
C797-1568 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}-N~1~-(4-ethylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1568
2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}-N~1~-(4-ethylbenzyl)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

C797-1568

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}-N~1~-(4-ethylbenzyl)acetamide

IUPAC name

2-{[5-(34-dimethylphenyl)-4-methyl-11-dioxo-1lambda62-thiazol-3-yl]amino}-N-[(4-ethylphenyl)methyl]acetamide

SMILES

CCc1ccc(CNC(CNC(C(C)=C2c3cc(C)c(C)cc3)=NS2(=O)=O)=O)cc1

InChI

InChI=1S/C23H27N3O3S/c1-5-18-7-9-19(10-8-18)13-24-21(27)14-25-23-17(4)22(30(28,29)26-23)20-11-6-15(2)16(3)12-20/h6-12H,5,13-14H2,1-4H3,(H,24,27)(H,25,26)

InChI Key

BFDRFQHEXXIVSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.21

Polar Surface Area

76.638

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C797-1568 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 C797-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1568?
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What is the minimum amount of C797-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1568
  • 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 C797-1568 available by request