C797-1516 Screening compound: N~1~-[4-(dimethylamino)benzyl]-2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}acetamide

C797-1516 Screening compound: N~1~-[4-(dimethylamino)benzyl]-2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}acetamide
C797-1516 Screening compound: N~1~-[4-(dimethylamino)benzyl]-2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1516
N~1~-[4-(dimethylamino)benzyl]-2-{[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~-isothiazol-3-yl]amino}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

C797-1516

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCC(NCc(cc1)ccc1N(C)C)=O)=N1)=C(c2cc(C)c(C)cc2)S1(=O)=O

InChI

InChI=1S/C23H28N4O3S/c1-15-6-9-19(12-16(15)2)22-17(3)23(26-31(22,29)30)25-14-21(28)24-13-18-7-10-20(11-8-18)27(4)5/h6-12H,13-14H2,1-5H3,(H,24,28)(H,25,26)

InChI Key

OWPRBQMSYRPAKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-3.88

Polar Surface Area

79.443

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C797-1516 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 C797-1516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1516?
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What is the minimum amount of C797-1516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1516
  • 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 C797-1516 available by request