D584-0498 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

D584-0498 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
D584-0498 Screening compound: N-(1H-1,3-benzodiazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D584-0498
N-(1H-1,3-benzodiazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

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

D584-0498

Molecular Formula

C25H23N7O2 (C25 H23 N7 O2)

Compound Name

N-(1H-1,3-benzodiazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide

IUPAC name

N-(1H-13-benzodiazol-2-yl)-2-[5-methyl-2-(4-methylphenyl)-7-oxo-4-(prop-2-en-1-yl)-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]acetamide

SMILES

Cc(cc1)ccc1-c(nc1N(CC=C)C(C)=C2CC(Nc3nc(cccc4)c4[nH]3)=O)nn1C2=O

InChI

InChI=1S/C25H23N7O2/c1-4-13-31-16(3)18(14-21(33)28-24-26-19-7-5-6-8-20(19)27-24)23(34)32-25(31)29-22(30-32)17-11-9-15(2)10-12-17/h4-12H,1,13-14H2,2-3H3,(H2,26,27,28,33)

InChI Key

DMHHQNYOJBGGNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.703

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.05

Polar Surface Area

82.036

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D584-0498 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D584-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D584-0498?
Check Price and Availability of D584-0498, 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 D584-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D584-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D584-0498
  • 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 D584-0498 available by request