3168-0323 Screening compound: 5-(4-ethoxyphenyl)-2-(1-naphthyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

3168-0323 Screening compound: 5-(4-ethoxyphenyl)-2-(1-naphthyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
3168-0323 Screening compound: 5-(4-ethoxyphenyl)-2-(1-naphthyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0323
5-(4-ethoxyphenyl)-2-(1-naphthyl)-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

3168-0323

Molecular Formula

C28H24N2O2 (C28 H24 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C(N(C2C3)N=C3c3cccc4ccccc34)Oc3c2cccc3)cc1

InChI

InChI=1S/C28H24N2O2/c1-2-31-21-16-14-20(15-17-21)28-30-26(24-11-5-6-13-27(24)32-28)18-25(29-30)23-12-7-9-19-8-3-4-10-22(19)23/h3-17,26,28H,2,18H2,1H3

InChI Key

WFJJHMUZDSYLEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.540

Distribution Coefficient, logD

6.540

Water Solubility, LogSw

-6.89

Polar Surface Area

28.898

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.90

3168-0323 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3168-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0323?
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What is the minimum amount of 3168-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0323
  • 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 3168-0323 available by request