D433-0989 Screening compound: N-(4-chlorophenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2,2-diphenylacetamide

D433-0989 Screening compound: N-(4-chlorophenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2,2-diphenylacetamide
D433-0989 Screening compound: N-(4-chlorophenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-0989
N-(4-chlorophenyl)-N-({5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)-2,2-diphenylacetamide

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

D433-0989

Molecular Formula

C27H22ClN5O2 (C27 H22 ClN5 O2)

Compound Name

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

IUPAC name

N-(4-chlorophenyl)-N-({5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-2-yl}methyl)-22-diphenylacetamide

SMILES

CC(Nc1nc(CN(C(C(c2ccccc2)c2ccccc2)=O)c(cc2)ccc2Cl)nn11)=CC1=O

InChI

InChI=1S/C27H22ClN5O2/c1-18-16-24(34)33-27(29-18)30-23(31-33)17-32(22-14-12-21(28)13-15-22)26(35)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16,25H,17H2,1H3,(H,29,30,31)

InChI Key

SWPLZGJJJDYSJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

2.016

Water Solubility, LogSw

-5.06

Polar Surface Area

67.075

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D433-0989 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D433-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-0989?
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What is the minimum amount of D433-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-0989
  • 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 D433-0989 available by request