K805-0922 Screening compound: 4-(9-chloro-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenyl methyl ether

K805-0922 Screening compound: 4-(9-chloro-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenyl methyl ether
K805-0922 Screening compound: 4-(9-chloro-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0922
4-(9-chloro-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-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

K805-0922

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

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

IUPAC name

12-chloro-4-(4-methoxyphenyl)-77-dimethyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CC(C)(N(C1C2)N=C2c(cc2)ccc2OC)Oc(cc2)c1cc2Cl

InChI

InChI=1S/C19H19ClN2O2/c1-19(2)22-17(15-10-13(20)6-9-18(15)24-19)11-16(21-22)12-4-7-14(23-3)8-5-12/h4-10,17H,11H2,1-3H3/t17-/m0/s1

InChI Key

AVNPJAYPXXRCFB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02042541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.40

Polar Surface Area

28.631

Acid Dissociation Constant (pKa)

17.28

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

K805-0922 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K805-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0922?
Check Price and Availability of K805-0922, 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 K805-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0922
  • 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 K805-0922 available by request