D513-3609 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzenesulfonamide

D513-3609 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzenesulfonamide
D513-3609 Screening compound: N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D513-3609
N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzenesulfonamide

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

D513-3609

Molecular Formula

C18H22ClN5O2S (C18 H22 ClN5 O2 S)

Compound Name

N-{6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-pentylbenzenesulfonamide

IUPAC name

N-{6-chloro-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}-N-pentylbenzenesulfonamide

SMILES

CCCCCN(c(nc1nc2C)nn1c(C)c2Cl)S(c1ccccc1)(=O)=O

InChI

InChI=1S/C18H22ClN5O2S/c1-4-5-9-12-23(27(25,26)15-10-7-6-8-11-15)18-21-17-20-13(2)16(19)14(3)24(17)22-18/h6-8,10-11H,4-5,9,12H2,1-3H3

InChI Key

JMORGYZUOMVDED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.57

Polar Surface Area

62.107

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D513-3609 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with D513-3609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D513-3609?
Check Price and Availability of D513-3609, 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 D513-3609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D513-3609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D513-3609
  • 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 D513-3609 available by request