3168-0168 Screening compound: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

3168-0168 Screening compound: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
3168-0168 Screening compound: 5-(4-methoxyphenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0168
5-(4-methoxyphenyl)-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

3168-0168

Molecular Formula

C24H22N2O2 (C24 H22 N2 O2)

Compound Name

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

IUPAC name

7-(4-methoxyphenyl)-4-(4-methylphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Cc(cc1)ccc1C(CC12)=NN1C(c(cc1)ccc1OC)Oc1c2cccc1

InChI

InChI=1S/C24H22N2O2/c1-16-7-9-17(10-8-16)21-15-22-20-5-3-4-6-23(20)28-24(26(22)25-21)18-11-13-19(27-2)14-12-18/h3-14,22,24H,15H2,1-2H3

InChI Key

QMZBKBSVBVMWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

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

5.696

Distribution Coefficient, logD

5.696

Water Solubility, LogSw

-5.80

Polar Surface Area

29.590

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

3168-0168 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 3168-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0168?
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What is the minimum amount of 3168-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0168
  • 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 3168-0168 available by request