D515-0868 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide

D515-0868 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-3-{[5-propyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzamide
D515-0868 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-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 D515-0868
N-(1H-1,3-benzodiazol-2-yl)-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

D515-0868

Molecular Formula

C27H23N9O (C27 H23 N9 O)

Compound Name

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

IUPAC name

N-(1H-13-benzodiazol-2-yl)-3-{[5-propyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}benzamide

SMILES

CCCc1nc2nc(-c3cnccc3)nn2c(Nc2cccc(C(Nc3nc(cccc4)c4[nH]3)=O)c2)c1

InChI

InChI=1S/C27H23N9O/c1-2-7-19-15-23(36-27(30-19)33-24(35-36)18-9-6-13-28-16-18)29-20-10-5-8-17(14-20)25(37)34-26-31-21-11-3-4-12-22(21)32-26/h3-6,8-16,29H,2,7H2,1H3,(H2,31,32,34,37)

InChI Key

RJXQPEPAMSONBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27590477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.376

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.11

Polar Surface Area

93.563

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D515-0868 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D515-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D515-0868?
Check Price and Availability of D515-0868, 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 D515-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D515-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D515-0868
  • 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 D515-0868 available by request