K805-0097 Screening compound: 4-[5-(2-chlorophenyl)-7-ethoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether

K805-0097 Screening compound: 4-[5-(2-chlorophenyl)-7-ethoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether
K805-0097 Screening compound: 4-[5-(2-chlorophenyl)-7-ethoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0097
4-[5-(2-chlorophenyl)-7-ethoxy-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

K805-0097

Molecular Formula

C26H25ClN2O3 (C26 H25 ClN2 O3)

Compound Name

4-[5-(2-chlorophenyl)-7-ethoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether

IUPAC name

7-(2-chlorophenyl)-10-ethoxy-4-(4-ethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CCOc(cc1)ccc1C(CC1c2ccc3)=NN1C(c(cccc1)c1Cl)Oc2c3OCC

InChI

InChI=1S/C26H25ClN2O3/c1-3-30-18-14-12-17(13-15-18)22-16-23-20-9-7-11-24(31-4-2)25(20)32-26(29(23)28-22)19-8-5-6-10-21(19)27/h5-15,23,26H,3-4,16H2,1-2H3

InChI Key

KMDUMDDOSHVINV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.573

Distribution Coefficient, logD

6.573

Water Solubility, LogSw

-6.48

Polar Surface Area

36.064

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with K805-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0097?
Check Price and Availability of K805-0097, 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 K805-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0097
  • 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 K805-0097 available by request