7706-0842 Screening compound: 5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

7706-0842 Screening compound: 5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
7706-0842 Screening compound: 5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0842
5-(4-fluorophenyl)-2-(4-methylphenyl)-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

7706-0842

Molecular Formula

C23H19FN2O (C23 H19 FN2 O)

Compound Name

5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

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

SMILES

Cc(cc1)ccc1C(CC12)=NN1C(c(cc1)ccc1F)Oc1c2cccc1

InChI

InChI=1S/C23H19FN2O/c1-15-6-8-16(9-7-15)20-14-21-19-4-2-3-5-22(19)27-23(26(21)25-20)17-10-12-18(24)13-11-17/h2-13,21,23H,14H2,1H3

InChI Key

UXVYGIBJGVASFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.743

Distribution Coefficient, logD

5.743

Water Solubility, LogSw

-5.81

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

7706-0842 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 7706-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0842?
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What is the minimum amount of 7706-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0842
  • 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 7706-0842 available by request