D433-1057 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2-phenoxyacetamide

D433-1057 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2-phenoxyacetamide
D433-1057 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1057
N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2-phenoxyacetamide

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

D433-1057

Molecular Formula

C23H23N5O4 (C23 H23 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(Cc(nc1NC(C)=C2)nn1C2=O)C(COc1ccccc1)=O

InChI

InChI=1S/C23H23N5O4/c1-3-31-19-11-9-17(10-12-19)27(22(30)15-32-18-7-5-4-6-8-18)14-20-25-23-24-16(2)13-21(29)28(23)26-20/h4-13H,3,14-15H2,1-2H3,(H,24,25,26)

InChI Key

QKBVQNPNPGHUKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

-0.051

Water Solubility, LogSw

-3.01

Polar Surface Area

81.442

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D433-1057 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D433-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1057?
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What is the minimum amount of D433-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1057
  • 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 D433-1057 available by request