D513-3566 Screening compound: N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide

D513-3566 Screening compound: N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-4-methyl-N-[2-(4-methylphenyl)-2-oxoethyl]benzene-1-sulfonamide
D513-3566 Screening compound: N-{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 D513-3566
N-{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

D513-3566

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

N-{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-{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(c1nn2c(C)cc(C)nc2n1)S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C23H23N5O3S/c1-15-5-9-19(10-6-15)21(29)14-27(32(30,31)20-11-7-16(2)8-12-20)23-25-22-24-17(3)13-18(4)28(22)26-23/h5-13H,14H2,1-4H3

InChI Key

SWBDZYAUBVECAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

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

3.561

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.74

Polar Surface Area

74.557

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D513-3566 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 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 D513-3566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3566?
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What is the minimum amount of D513-3566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3566
  • 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 D513-3566 available by request