7706-0855 Screening compound: 5-phenyl-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

7706-0855 Screening compound: 5-phenyl-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
7706-0855 Screening compound: 5-phenyl-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0855
5-phenyl-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]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

7706-0855

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

5-phenyl-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-phenyl-4-(pyridin-3-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

C(C12)C(c3cnccc3)=NN1C(c1ccccc1)Oc1c2cccc1

InChI

InChI=1S/C21H17N3O/c1-2-7-15(8-3-1)21-24-19(17-10-4-5-11-20(17)25-21)13-18(23-24)16-9-6-12-22-14-16/h1-12,14,19,21H,13H2

InChI Key

ADYNDGBDWNQGKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03655504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-4.09

Polar Surface Area

31.564

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.30

7706-0855 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7706-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0855?
Check Price and Availability of 7706-0855, 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 7706-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0855
  • 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 7706-0855 available by request