K805-0429 Screening compound: 7-methoxy-5-[4-(methylsulfanyl)phenyl]-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

K805-0429 Screening compound: 7-methoxy-5-[4-(methylsulfanyl)phenyl]-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
K805-0429 Screening compound: 7-methoxy-5-[4-(methylsulfanyl)phenyl]-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0429
7-methoxy-5-[4-(methylsulfanyl)phenyl]-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

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

K805-0429

Molecular Formula

C23H21N3O2S (C23 H21 N3 O2 S)

Compound Name

7-methoxy-5-[4-(methylsulfanyl)phenyl]-2-(3-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

10-methoxy-7-[4-(methylsulfanyl)phenyl]-4-(pyridin-3-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc(cccc1C2C3)c1OC(c(cc1)ccc1SC)N2N=C3c1cnccc1

InChI

InChI=1S/C23H21N3O2S/c1-27-21-7-3-6-18-20-13-19(16-5-4-12-24-14-16)25-26(20)23(28-22(18)21)15-8-10-17(29-2)11-9-15/h3-12,14,20,23H,13H2,1-2H3

InChI Key

DWHXSYLAXCTONE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.16

Polar Surface Area

38.878

Acid Dissociation Constant (pKa)

16.89

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

K805-0429 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K805-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0429?
Check Price and Availability of K805-0429, 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 K805-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0429
  • 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 K805-0429 available by request