K805-0763 Screening compound: 9-chloro-5-(2-chlorophenyl)-2-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

K805-0763 Screening compound: 9-chloro-5-(2-chlorophenyl)-2-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
K805-0763 Screening compound: 9-chloro-5-(2-chlorophenyl)-2-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0763
9-chloro-5-(2-chlorophenyl)-2-(4-fluorophenyl)-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

K805-0763

Molecular Formula

C22H15Cl2FN2O (C22 H15 Cl2 FN2 O)

Compound Name

9-chloro-5-(2-chlorophenyl)-2-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

12-chloro-7-(2-chlorophenyl)-4-(4-fluorophenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Fc(cc1)ccc1C(CC12)=NN1C(c(cccc1)c1Cl)Oc(cc1)c2cc1Cl

InChI

InChI=1S/C22H15Cl2FN2O/c23-14-7-10-21-17(11-14)20-12-19(13-5-8-15(25)9-6-13)26-27(20)22(28-21)16-3-1-2-4-18(16)24/h1-11,20,22H,12H2

InChI Key

IHYQKMQDWLIEQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02671385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.510

Distribution Coefficient, logD

6.510

Water Solubility, LogSw

-6.51

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

K805-0763 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K805-0763 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0763?
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What is the minimum amount of K805-0763 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0763
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0763
  • 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 K805-0763 available by request