8011-6580 Screening compound: [4-(4-{4-[chloro(difluoro)methoxy]anilino}-1-phthalazinyl)phenyl](morpholino)methanone

8011-6580 Screening compound: [4-(4-{4-[chloro(difluoro)methoxy]anilino}-1-phthalazinyl)phenyl](morpholino)methanone
8011-6580 Screening compound: [4-(4-{4-[chloro(difluoro)methoxy]anilino}-1-phthalazinyl)phenyl](morpholino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6580
[4-(4-{4-[chloro(difluoro)methoxy]anilino}-1-phthalazinyl)phenyl](morpholino)methanone

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

8011-6580

Molecular Formula

C26H21ClF2N4O3 (C26 H21 ClF2 N4 O3)

Compound Name

[4-(4-{4-[chloro(difluoro)methoxy]anilino}-1-phthalazinyl)phenyl](morpholino)methanone

IUPAC name

N-[4-(chlorodifluoromethoxy)phenyl]-4-[4-(morpholine-4-carbonyl)phenyl]phthalazin-1-amine

SMILES

O=C(c(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)ccc1OC(F)(F)Cl)N1CCOCC1

InChI

InChI=1S/C26H21ClF2N4O3/c27-26(28,29)36-20-11-9-19(10-12-20)30-24-22-4-2-1-3-21(22)23(31-32-24)17-5-7-18(8-6-17)25(34)33-13-15-35-16-14-33/h1-12H,13-16H2,(H,30,32)

InChI Key

NCGMWEFRHDYXRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-4.81

Polar Surface Area

62.815

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.23

8011-6580 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-6580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6580?
Check Price and Availability of 8011-6580, 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 8011-6580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6580
  • 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 8011-6580 available by request