3168-0214 Screening compound: 5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

3168-0214 Screening compound: 5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
3168-0214 Screening compound: 5-(2-chlorophenyl)-2-(4-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0214
5-(2-chlorophenyl)-2-(4-chlorophenyl)-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

3168-0214

Molecular Formula

C22H16Cl2N2O (C22 H16 Cl2 N2 O)

Compound Name

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

IUPAC name

7-(2-chlorophenyl)-4-(4-chlorophenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Clc(cc1)ccc1C(CC12)=NN1C(c(cccc1)c1Cl)Oc1c2cccc1

InChI

InChI=1S/C22H16Cl2N2O/c23-15-11-9-14(10-12-15)19-13-20-17-6-2-4-8-21(17)27-22(26(20)25-19)16-5-1-3-7-18(16)24/h1-12,20,22H,13H2

InChI Key

WGYUVFNCFBGRMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.29

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

6.432

Distribution Coefficient, logD

6.432

Water Solubility, LogSw

-6.44

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

3168-0214 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 3168-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0214?
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What is the minimum amount of 3168-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0214
  • 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 3168-0214 available by request