K805-0663 Screening compound: 4-[9-chloro-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl sulfide

K805-0663 Screening compound: 4-[9-chloro-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl sulfide
K805-0663 Screening compound: 4-[9-chloro-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0663
4-[9-chloro-2-(5-methyl-2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl sulfide

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

K805-0663

Molecular Formula

C22H19ClN2O2S (C22 H19 ClN2 O2 S)

Compound Name

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

IUPAC name

12-chloro-4-(5-methylfuran-2-yl)-7-[4-(methylsulfanyl)phenyl]-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Cc1ccc(C(CC23)=NN2C(c(cc2)ccc2SC)Oc(cc2)c3cc2Cl)o1

InChI

InChI=1S/C22H19ClN2O2S/c1-13-3-9-21(26-13)18-12-19-17-11-15(23)6-10-20(17)27-22(25(19)24-18)14-4-7-16(28-2)8-5-14/h3-11,19,22H,12H2,1-2H3

InChI Key

AUGWBHHCYWRYCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04024696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.328

Distribution Coefficient, logD

6.328

Water Solubility, LogSw

-6.49

Polar Surface Area

30.138

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

K805-0663 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K805-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0663?
Check Price and Availability of K805-0663, 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 K805-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0663
  • 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 K805-0663 available by request