3168-0155 Screening compound: 5-[4-(octyloxy)phenyl]-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

3168-0155 Screening compound: 5-[4-(octyloxy)phenyl]-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
3168-0155 Screening compound: 5-[4-(octyloxy)phenyl]-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0155
5-[4-(octyloxy)phenyl]-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

3168-0155

Molecular Formula

C30H34N2O2 (C30 H34 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCOc1ccc(C(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)cc1

InChI

InChI=1S/C30H34N2O2/c1-2-3-4-5-6-12-21-33-25-19-17-24(18-20-25)30-32-28(26-15-10-11-16-29(26)34-30)22-27(31-32)23-13-8-7-9-14-23/h7-11,13-20,28,30H,2-6,12,21-22H2,1H3

InChI Key

NVEFSQIIGWPOBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02239313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.656

Distribution Coefficient, logD

8.656

Water Solubility, LogSw

-6.00

Polar Surface Area

29.463

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

3168-0155 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3168-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0155?
Check Price and Availability of 3168-0155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3168-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0155
  • 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 3168-0155 available by request