3317-0002 Screening compound: 2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

3317-0002 Screening compound: 2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
3317-0002 Screening compound: 2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3317-0002
2,5-diphenyl-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

3317-0002

Molecular Formula

C22H18N2O (C22 H18 N2 O)

Compound Name

2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

47-diphenyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

C(C12)C(c3ccccc3)=NN1C(c1ccccc1)Oc1c2cccc1

InChI

InChI=1S/C22H18N2O/c1-3-9-16(10-4-1)19-15-20-18-13-7-8-14-21(18)25-22(24(20)23-19)17-11-5-2-6-12-17/h1-14,20,22H,15H2

InChI Key

GWMCPCJSFNYUTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00518917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

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

5.190

Distribution Coefficient, logD

5.190

Water Solubility, LogSw

-5.57

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

3317-0002 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3317-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3317-0002?
Check Price and Availability of 3317-0002, 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 3317-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3317-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3317-0002
  • 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 3317-0002 available by request