K805-0688 Screening compound: 4-[9-chloro-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

K805-0688 Screening compound: 4-[9-chloro-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
K805-0688 Screening compound: 4-[9-chloro-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0688
4-[9-chloro-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl 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

K805-0688

Molecular Formula

C25H23ClN2O3 (C25 H23 ClN2 O3)

Compound Name

4-[9-chloro-2-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(CC12)=NN1C(c(cc1)ccc1OC)Oc(cc1)c2cc1Cl

InChI

InChI=1S/C25H23ClN2O3/c1-3-30-20-11-4-16(5-12-20)22-15-23-21-14-18(26)8-13-24(21)31-25(28(23)27-22)17-6-9-19(29-2)10-7-17/h4-14,23,25H,3,15H2,1-2H3

InChI Key

PHNVJAWZPXECER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.286

Distribution Coefficient, logD

6.286

Water Solubility, LogSw

-6.48

Polar Surface Area

36.713

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with K805-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0688?
Check Price and Availability of K805-0688, 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 K805-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0688
  • 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 K805-0688 available by request