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

InChI

InChI=1S/C23H22ClN5O3S/c1-14-5-9-18(10-6-14)20(30)13-28(33(31,32)19-11-7-15(2)8-12-19)23-26-22-25-16(3)21(24)17(4)29(22)27-23/h5-12H,13H2,1-4H3

InChI Key

IBTAYCKCLBUZIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590289

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?
Check Price and Availability of D513-3668, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
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