D433-1063 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-phenylpropanamide

D433-1063 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-phenylpropanamide
D433-1063 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1063
N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-3-phenylpropanamide

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

D433-1063

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(Cc(nc1NC(C)=C2)nn1C2=O)C(CCc1ccccc1)=O

InChI

InChI=1S/C24H25N5O3/c1-3-32-20-12-10-19(11-13-20)28(22(30)14-9-18-7-5-4-6-8-18)16-21-26-24-25-17(2)15-23(31)29(24)27-21/h4-8,10-13,15H,3,9,14,16H2,1-2H3,(H,25,26,27)

InChI Key

GWVPJOJMUJXULO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

0.833

Water Solubility, LogSw

-3.58

Polar Surface Area

73.943

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D433-1063 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D433-1063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1063?
Check Price and Availability of D433-1063, 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 D433-1063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1063
  • 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 D433-1063 available by request