K805-0672 Screening compound: 3-[9-chloro-5-(3-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

K805-0672 Screening compound: 3-[9-chloro-5-(3-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether
K805-0672 Screening compound: 3-[9-chloro-5-(3-chlorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound K805-0672
3-[9-chloro-5-(3-chlorophenyl)-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

K805-0672

Molecular Formula

C23H18Cl2N2O2 (C23 H18 Cl2 N2 O2)

Compound Name

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

IUPAC name

12-chloro-7-(3-chlorophenyl)-4-(3-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc1cccc(C(CC23)=NN2C(c2cc(Cl)ccc2)Oc(cc2)c3cc2Cl)c1

InChI

InChI=1S/C23H18Cl2N2O2/c1-28-18-7-3-4-14(11-18)20-13-21-19-12-17(25)8-9-22(19)29-23(27(21)26-20)15-5-2-6-16(24)10-15/h2-12,21,23H,13H2,1H3

InChI Key

SASODPZEMGMLTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05827131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.543

Distribution Coefficient, logD

6.543

Water Solubility, LogSw

-6.60

Polar Surface Area

29.590

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

K805-0672 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 K805-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K805-0672?
Check Price and Availability of K805-0672, 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 K805-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K805-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K805-0672
  • 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 K805-0672 available by request