D043-0207 Screening compound: 2-[(2-chloro-6-fluorobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one

D043-0207 Screening compound: 2-[(2-chloro-6-fluorobenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
D043-0207 Screening compound: 2-[(2-chloro-6-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 D043-0207
2-[(2-chloro-6-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

D043-0207

Molecular Formula

C15H13ClFN5O (C15 H13 ClFN5 O)

Compound Name

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

IUPAC name

11-{[(2-chloro-6-fluorophenyl)methyl]amino}-181012-tetraazatricyclo[7.3.0.0^{37}]dodeca-3(7)911-trien-2-one

SMILES

O=C1n2nc(NCc(c(F)ccc3)c3Cl)nc2NC2=C1CCC2

InChI

InChI=1S/C15H13ClFN5O/c16-10-4-2-5-11(17)9(10)7-18-14-20-15-19-12-6-1-3-8(12)13(23)22(15)21-14/h2,4-5H,1,3,6-7H2,(H2,18,19,20,21)

InChI Key

CFYMDWJMNXNLLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06608751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.75

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

2.644

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.52

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

D043-0207 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D043-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0207?
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What is the minimum amount of D043-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0207
  • 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 D043-0207 available by request