D513-3518 Screening compound: N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(2-methylphenyl)methyl]benzenesulfonamide

D513-3518 Screening compound: N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(2-methylphenyl)methyl]benzenesulfonamide
D513-3518 Screening compound: N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(2-methylphenyl)methyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3518
N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(2-methylphenyl)methyl]benzenesulfonamide

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

D513-3518

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

N-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-[(2-methylphenyl)methyl]benzenesulfonamide

IUPAC name

N-{57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-[(2-methylphenyl)methyl]benzenesulfonamide

SMILES

Cc1c(CN(c2nn3c(C)cc(C)nc3n2)S(c2ccccc2)(=O)=O)cccc1

InChI

InChI=1S/C21H21N5O2S/c1-15-9-7-8-10-18(15)14-25(29(27,28)19-11-5-4-6-12-19)21-23-20-22-16(2)13-17(3)26(20)24-21/h4-13H,14H2,1-3H3

InChI Key

SFVRCEFVLHQZBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-3.83

Polar Surface Area

61.310

Acid Dissociation Constant (pKa)

17.01

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D513-3518 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D513-3518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3518?
Check Price and Availability of D513-3518, 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 D513-3518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3518
  • 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 D513-3518 available by request