D433-0828 Screening compound: 3-methyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

D433-0828 Screening compound: 3-methyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide
D433-0828 Screening compound: 3-methyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0828
3-methyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

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

D433-0828

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

3-methyl-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

IUPAC name

3-methyl-N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-N-phenylbenzamide

SMILES

Cc1cccc(C(N(Cc(nc2NC(C)=C3)nn2C3=O)c2ccccc2)=O)c1

InChI

InChI=1S/C21H19N5O2/c1-14-7-6-8-16(11-14)20(28)25(17-9-4-3-5-10-17)13-18-23-21-22-15(2)12-19(27)26(21)24-18/h3-12H,13H2,1-2H3,(H,22,23,24)

InChI Key

OZRIOMYXTIDQQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

-0.087

Water Solubility, LogSw

-3.09

Polar Surface Area

67.347

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with D433-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0828?
Check Price and Availability of D433-0828, 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 D433-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0828
  • 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 D433-0828 available by request