D515-0829 Screening compound: N-[(4-methylphenyl)methyl]-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide

D515-0829 Screening compound: N-[(4-methylphenyl)methyl]-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide
D515-0829 Screening compound: N-[(4-methylphenyl)methyl]-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D515-0829
N-[(4-methylphenyl)methyl]-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide

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

D515-0829

Molecular Formula

C28H27N7O (C28 H27 N7 O)

Compound Name

N-[(4-methylphenyl)methyl]-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide

IUPAC name

N-[(4-methylphenyl)methyl]-3-{[5-propyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}benzamide

SMILES

CCCc1nc2nc(-c3cnccc3)nn2c(Nc2cccc(C(NCc3ccc(C)cc3)=O)c2)c1

InChI

InChI=1S/C28H27N7O/c1-3-6-23-16-25(35-28(32-23)33-26(34-35)22-8-5-14-29-18-22)31-24-9-4-7-21(15-24)27(36)30-17-20-12-10-19(2)11-13-20/h4-5,7-16,18,31H,3,6,17H2,1-2H3,(H,30,36)

InChI Key

RYYJUXCGFJNKRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-4.69

Polar Surface Area

74.460

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

D515-0829 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D515-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D515-0829?
Check Price and Availability of D515-0829, 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 D515-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D515-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D515-0829
  • 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 D515-0829 available by request