D433-1829 Screening compound: 2-[(2-fluoroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D433-1829 Screening compound: 2-[(2-fluoroanilino)methyl]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D433-1829 Screening compound: 2-[(2-fluoroanilino)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 D433-1829
2-[(2-fluoroanilino)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

D433-1829

Molecular Formula

C15H14FN5O (C15 H14 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C1n2nc(CNc(cccc3)c3F)nc2NC2=C1CCC2

InChI

InChI=1S/C15H14FN5O/c16-10-5-1-2-6-12(10)17-8-13-19-15-18-11-7-3-4-9(11)14(22)21(15)20-13/h1-2,5-6,17H,3-4,7-8H2,(H,18,19,20)

InChI Key

MABFJNVKGRNZFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27586195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.31

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

1.842

Distribution Coefficient, logD

0.760

Water Solubility, LogSw

-2.18

Polar Surface Area

61.736

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D433-1829 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D433-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D433-1829?
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What is the minimum amount of D433-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D433-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D433-1829
  • 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 D433-1829 available by request