D043-0202 Screening compound: 2-[(2-fluorobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D043-0202 Screening compound: 2-[(2-fluorobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D043-0202 Screening compound: 2-[(2-fluorobenzyl)amino]-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 D043-0202
2-[(2-fluorobenzyl)amino]-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

D043-0202

Molecular Formula

C15H14FN5O (C15 H14 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

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

InChI Key

QACPLDFLWSIXPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06597681

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

2.120

Distribution Coefficient, logD

2.110

Water Solubility, LogSw

-2.78

Polar Surface Area

62.577

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D043-0202 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D043-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0202?
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What is the minimum amount of D043-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0202
  • 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 D043-0202 available by request