D433-1839 Screening compound: 2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D433-1839 Screening compound: 2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D433-1839 Screening compound: 2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D433-1839
2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

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

D433-1839

Molecular Formula

C15H14ClN5O (C15 H14 ClN5 O)

Compound Name

2-[(4-chloroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

IUPAC name

11-{[(4-chlorophenyl)amino]methyl}-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-2-one

SMILES

O=C1n2nc(CNc(cc3)ccc3Cl)nc2NC2=C1CCC2

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.404

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-3.31

Polar Surface Area

62.434

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-1839 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D433-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1839?
Check Price and Availability of D433-1839, 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 D433-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1839
  • 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 D433-1839 available by request