8012-0397 Screening compound: 4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)-N-(2-hydroxyethyl)benzamide

8012-0397 Screening compound: 4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)-N-(2-hydroxyethyl)benzamide
8012-0397 Screening compound: 4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)-N-(2-hydroxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0397
4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)-N-(2-hydroxyethyl)benzamide

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

8012-0397

Molecular Formula

C24H19ClF2N4O3 (C24 H19 ClF2 N4 O3)

Compound Name

4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)-N-(2-hydroxyethyl)benzamide

IUPAC name

4-(4-{[4-(chlorodifluoromethoxy)phenyl]amino}phthalazin-1-yl)-N-(2-hydroxyethyl)benzamide

SMILES

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

InChI

InChI=1S/C24H19ClF2N4O3/c25-24(26,27)34-18-11-9-17(10-12-18)29-22-20-4-2-1-3-19(20)21(30-31-22)15-5-7-16(8-6-15)23(33)28-13-14-32/h1-12,32H,13-14H2,(H,28,33)(H,29,31)

InChI Key

VJYIHZYIBQTDLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.041

Water Solubility, LogSw

-4.45

Polar Surface Area

79.440

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8012-0397 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)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 8012-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0397?
Check Price and Availability of 8012-0397, 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 8012-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0397
  • 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 8012-0397 available by request