D433-1841 Screening compound: 2-[(3-methoxyanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D433-1841 Screening compound: 2-[(3-methoxyanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D433-1841 Screening compound: 2-[(3-methoxyanilino)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 D433-1841
2-[(3-methoxyanilino)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

D433-1841

Molecular Formula

C16H17N5O2 (C16 H17 N5 O2)

Compound Name

2-[(3-methoxyanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

IUPAC name

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

SMILES

COc1cccc(NCc(nc2NC3=C4CCC3)nn2C4=O)c1

InChI

InChI=1S/C16H17N5O2/c1-23-11-5-2-4-10(8-11)17-9-14-19-16-18-13-7-3-6-12(13)15(22)21(16)20-14/h2,4-5,8,17H,3,6-7,9H2,1H3,(H,18,19,20)

InChI Key

HPFOGUTXCHKBPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

0.666

Water Solubility, LogSw

-2.24

Polar Surface Area

69.977

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D433-1841 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D433-1841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1841?
Check Price and Availability of D433-1841, 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 D433-1841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1841
  • 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 D433-1841 available by request