8016-0117 Screening compound: 4-[9-bromo-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether

8016-0117 Screening compound: 4-[9-bromo-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether
8016-0117 Screening compound: 4-[9-bromo-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0117
4-[9-bromo-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether

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

8016-0117

Molecular Formula

C24H20BrFN2O2 (C24 H20 BrFN2 O2)

Compound Name

4-[9-bromo-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(CC12)=NN1C(c(cc1)ccc1F)Oc(cc1)c2cc1Br

InChI

InChI=1S/C24H20BrFN2O2/c1-2-29-19-10-5-15(6-11-19)21-14-22-20-13-17(25)7-12-23(20)30-24(28(22)27-21)16-3-8-18(26)9-4-16/h3-13,22,24H,2,14H2,1H3

InChI Key

BTBQABFDMBTQOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03010460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.34

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

6.460

Distribution Coefficient, logD

6.460

Water Solubility, LogSw

-5.90

Polar Surface Area

29.169

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.83

References: we are preparing a list of scientific research reports with 8016-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0117?
Check Price and Availability of 8016-0117, 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 8016-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0117
  • 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 8016-0117 available by request