D268-0414 Screening compound: ethyl 4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate

D268-0414 Screening compound: ethyl 4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate
D268-0414 Screening compound: ethyl 4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D268-0414
ethyl 4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate

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

D268-0414

Molecular Formula

C21H20N6O3 (C21 H20 N6 O3)

Compound Name

ethyl 4-({6-[(2,3-dimethylphenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}amino)benzoate

IUPAC name

ethyl 4-({6-[(23-dimethylphenyl)amino]-[125]oxadiazolo[34-b]pyrazin-5-yl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1Nc1nc2nonc2nc1Nc1c(C)c(C)ccc1)=O

InChI

InChI=1S/C21H20N6O3/c1-4-29-21(28)14-8-10-15(11-9-14)22-17-18(25-20-19(24-17)26-30-27-20)23-16-7-5-6-12(2)13(16)3/h5-11H,4H2,1-3H3,(H,22,24,26)(H,23,25,27)

InChI Key

UQDVLBYTPSVSQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00660244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.006

Distribution Coefficient, logD

6.006

Water Solubility, LogSw

-5.56

Polar Surface Area

94.602

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D268-0414 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D268-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D268-0414?
Check Price and Availability of D268-0414, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D268-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D268-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D268-0414
  • 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 D268-0414 available by request