K805-0100 Screening compound: 4-[5-(3,4-dimethoxyphenyl)-7-ethoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether

K805-0100 Screening compound: 4-[5-(3,4-dimethoxyphenyl)-7-ethoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl ethyl ether
K805-0100 Screening compound: 4-[5-(3,4-dimethoxyphenyl)-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 K805-0100
4-[5-(3,4-dimethoxyphenyl)-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

K805-0100

Molecular Formula

C28H30N2O5 (C28 H30 N2 O5)

Compound Name

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

IUPAC name

7-(34-dimethoxyphenyl)-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(cc1)cc(OC)c1OC)Oc2c3OCC

InChI

InChI=1S/C28H30N2O5/c1-5-33-20-13-10-18(11-14-20)22-17-23-21-8-7-9-25(34-6-2)27(21)35-28(30(23)29-22)19-12-15-24(31-3)26(16-19)32-4/h7-16,23,28H,5-6,17H2,1-4H3

InChI Key

ACKDPLIYWZCEAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.658

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.65

Polar Surface Area

51.325

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

K805-0100 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K805-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0100?
Check Price and Availability of K805-0100, 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 K805-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0100
  • 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 K805-0100 available by request