8013-0859 Screening compound: 4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)phenol

8013-0859 Screening compound: 4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)phenol
8013-0859 Screening compound: 4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0859
4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)phenol

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

8013-0859

Molecular Formula

C21H14ClF2N3O2 (C21 H14 ClF2 N3 O2)

Compound Name

4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)phenol

IUPAC name

4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)phenol

SMILES

Oc(cc1)ccc1-c(c1ccccc11)nnc1Nc(cc1)ccc1OC(F)(F)Cl

InChI

InChI=1S/C21H14ClF2N3O2/c22-21(23,24)29-16-11-7-14(8-12-16)25-20-18-4-2-1-3-17(18)19(26-27-20)13-5-9-15(28)10-6-13/h1-12,28H,(H,25,27)

InChI Key

KSTYQFZILONGSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.131

Water Solubility, LogSw

-5.51

Polar Surface Area

55.875

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8013-0859 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0859?
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What is the minimum amount of 8013-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0859
  • 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 8013-0859 available by request