8006-9589 Screening compound: 10H-[1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-b][1,4]benzoxazine

8006-9589 Screening compound: 10H-[1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-b][1,4]benzoxazine
8006-9589 Screening compound: 10H-[1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-b][1,4]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9589
10H-[1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-b][1,4]benzoxazine

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

8006-9589

Molecular Formula

C10H5N5O2 (C10 H5 N5 O2)

Compound Name

10H-[1,2,5]oxadiazolo[3',4':5,6]pyrazino[2,3-b][1,4]benzoxazine

IUPAC name

214-dioxa-911131517-pentaazatetracyclo[8.7.0.0^{38}.0^{1216}]heptadeca-1(17)3(8)46101215-heptaene

SMILES

c(cc1)cc2c1Oc1nc3nonc3nc1N2

InChI

InChI=1S/C10H5N5O2/c1-2-4-6-5(3-1)11-9-10(16-6)13-8-7(12-9)14-17-15-8/h1-4H,(H,11,12,14)

InChI Key

LQTXEQPZKFVWRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00434845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.02

Polar Surface Area

75.185

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-9589 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-9589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9589?
Check Price and Availability of 8006-9589, 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 8006-9589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9589
  • 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 8006-9589 available by request