K805-0573 Screening compound: 2-(4-fluorophenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-7-yl methyl ether

K805-0573 Screening compound: 2-(4-fluorophenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-7-yl methyl ether
K805-0573 Screening compound: 2-(4-fluorophenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-7-yl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0573
2-(4-fluorophenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-7-yl 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

K805-0573

Molecular Formula

C24H21FN2O2S (C24 H21 FN2 O2 S)

Compound Name

2-(4-fluorophenyl)-5-[4-(methylsulfanyl)phenyl]-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-7-yl methyl ether

IUPAC name

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

SMILES

COc(cccc1C2C3)c1OC(c(cc1)ccc1SC)N2N=C3c(cc1)ccc1F

InChI

InChI=1S/C24H21FN2O2S/c1-28-22-5-3-4-19-21-14-20(15-6-10-17(25)11-7-15)26-27(21)24(29-23(19)22)16-8-12-18(30-2)13-9-16/h3-13,21,24H,14H2,1-2H3

InChI Key

KJVAJZAJVZWKBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05719094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.888

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-5.80

Polar Surface Area

29.360

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

K805-0573 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 K805-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0573?
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What is the minimum amount of K805-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0573
  • 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 K805-0573 available by request