D513-3668 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide

D513-3668 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide
D513-3668 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3668
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide

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

D513-3668

Molecular Formula

C23H22ClN5O3S (C23 H22 ClN5 O3 S)

Compound Name

N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide

IUPAC name

N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1C(CN(c(nc1nc2C)nn1c(C)c2Cl)S(c1ccc(C)cc1)(=O)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.65

Polar Surface Area

75.104

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D513-3668 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Neuropeptide S Library (2850 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D513-3668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3668?
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What is the minimum amount of D513-3668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3668
  • 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 D513-3668 available by request