0833-0433 Screening compound: 5-(2-methoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

0833-0433 Screening compound: 5-(2-methoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
0833-0433 Screening compound: 5-(2-methoxyphenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0433
5-(2-methoxyphenyl)-2-phenyl-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

0833-0433

Molecular Formula

C23H20N2O2 (C23 H20 N2 O2)

Compound Name

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

IUPAC name

7-(2-methoxyphenyl)-4-phenyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

COc1c(C(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)cccc1

InChI

InChI=1S/C23H20N2O2/c1-26-21-13-7-6-12-18(21)23-25-20(17-11-5-8-14-22(17)27-23)15-19(24-25)16-9-3-2-4-10-16/h2-14,20,23H,15H2,1H3

InChI Key

SFXYYHFNZKZXMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00564694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.286

Distribution Coefficient, logD

5.286

Water Solubility, LogSw

-5.57

Polar Surface Area

29.676

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

0833-0433 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0833-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0433?
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What is the minimum amount of 0833-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0433
  • 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 0833-0433 available by request