8012-0609 Screening compound: ethyl 2-[5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate

8012-0609 Screening compound: ethyl 2-[5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate
8012-0609 Screening compound: ethyl 2-[5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0609
ethyl 2-[5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate

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

8012-0609

Molecular Formula

C15H12ClN7O3 (C15 H12 ClN7 O3)

Compound Name

ethyl 2-[5-(4-chloroanilino)[1,2,5]oxadiazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate

IUPAC name

ethyl 2-{8-[(4-chlorophenyl)amino]-4-oxa-13571011-hexaazatricyclo[7.3.0.0^{26}]dodeca-257911-pentaen-12-yl}acetate

SMILES

CCOC(Cc1nnc2n1c1nonc1nc2Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C15H12ClN7O3/c1-2-25-11(24)7-10-19-20-14-12(17-9-5-3-8(16)4-6-9)18-13-15(23(10)14)22-26-21-13/h3-6H,2,7H2,1H3,(H,17,18,21)

InChI Key

JVKAQQFRBZAPCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00370459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.53

Polar Surface Area

98.410

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8012-0609 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0609?
Check Price and Availability of 8012-0609, 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 8012-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0609
  • 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 8012-0609 available by request