D268-0109 Screening compound: N5-(3-chloro-4-methylphenyl)-N6-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

D268-0109 Screening compound: N5-(3-chloro-4-methylphenyl)-N6-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
D268-0109 Screening compound: N5-(3-chloro-4-methylphenyl)-N6-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0109
N5-(3-chloro-4-methylphenyl)-N6-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

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

D268-0109

Molecular Formula

C17H12ClFN6O (C17 H12 ClFN6 O)

Compound Name

N5-(3-chloro-4-methylphenyl)-N6-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

IUPAC name

N5-(3-chloro-4-methylphenyl)-N6-(2-fluorophenyl)-[125]oxadiazolo[34-b]pyrazine-56-diamine

SMILES

Cc(ccc(Nc1nc2nonc2nc1Nc(cccc1)c1F)c1)c1Cl

InChI

InChI=1S/C17H12ClFN6O/c1-9-6-7-10(8-11(9)18)20-14-15(21-13-5-3-2-4-12(13)19)23-17-16(22-14)24-26-25-17/h2-8H,1H3,(H,20,22,24)(H,21,23,25)

InChI Key

ZMIDTPJFQGCQMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00613052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.77

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

5.945

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-6.17

Polar Surface Area

73.848

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D268-0109 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

C-Met Library (15277 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D268-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0109?
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What is the minimum amount of D268-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0109
  • 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 D268-0109 available by request