D433-1090 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide

D433-1090 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide
D433-1090 Screening compound: N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1090
N-(4-ethoxyphenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)cyclohexanecarboxamide

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

D433-1090

Molecular Formula

C22H27N5O3 (C22 H27 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)cyclohexanecarboxamide

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(Cc(nc1NC(C)=C2)nn1C2=O)C(C1CCCCC1)=O

InChI

InChI=1S/C22H27N5O3/c1-3-30-18-11-9-17(10-12-18)26(21(29)16-7-5-4-6-8-16)14-19-24-22-23-15(2)13-20(28)27(22)25-19/h9-13,16H,3-8,14H2,1-2H3,(H,23,24,25)

InChI Key

BIKQOXATJMUGGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

0.585

Water Solubility, LogSw

-3.36

Polar Surface Area

74.662

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

D433-1090 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D433-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1090?
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What is the minimum amount of D433-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1090
  • 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 D433-1090 available by request