D268-0104 Screening compound: N5-(3-chloro-4-methylphenyl)-N6-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

D268-0104 Screening compound: N5-(3-chloro-4-methylphenyl)-N6-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
D268-0104 Screening compound: N5-(3-chloro-4-methylphenyl)-N6-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0104
N5-(3-chloro-4-methylphenyl)-N6-[3-(trifluoromethyl)phenyl]-[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

D268-0104

Molecular Formula

C18H12ClF3N6O (C18 H12 ClF3 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Nc1nc2nonc2nc1Nc1cc(C(F)(F)F)ccc1)c1)c1Cl

InChI

InChI=1S/C18H12ClF3N6O/c1-9-5-6-12(8-13(9)19)24-15-14(25-16-17(26-15)28-29-27-16)23-11-4-2-3-10(7-11)18(20,21)22/h2-8H,1H3,(H,23,25,27)(H,24,26,28)

InChI Key

QLYMWNSGKQOBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00632737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.891

Distribution Coefficient, logD

6.891

Water Solubility, LogSw

-6.73

Polar Surface Area

74.546

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D268-0104 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D268-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0104?
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What is the minimum amount of D268-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0104
  • 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 D268-0104 available by request