6835-5621 Screening compound: 7-ethoxy-2-phenyl-5-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-5621 Screening compound: 7-ethoxy-2-phenyl-5-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-5621 Screening compound: 7-ethoxy-2-phenyl-5-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5621
7-ethoxy-2-phenyl-5-(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

6835-5621

Molecular Formula

C23H21N3O2 (C23 H21 N3 O2)

Compound Name

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

IUPAC name

10-ethoxy-4-phenyl-7-(pyridin-3-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CCOc(cccc1C2C3)c1OC(c1cnccc1)N2N=C3c1ccccc1

InChI

InChI=1S/C23H21N3O2/c1-2-27-21-12-6-11-18-20-14-19(16-8-4-3-5-9-16)25-26(20)23(28-22(18)21)17-10-7-13-24-15-17/h3-13,15,20,23H,2,14H2,1H3

InChI Key

FODLTBILZCIWTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04004904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.358

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.02

Polar Surface Area

38.458

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

6835-5621 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6835-5621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5621?
Check Price and Availability of 6835-5621, 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 6835-5621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5621
  • 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 6835-5621 available by request