8012-7561 Screening compound: methyl 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)acetate

8012-7561 Screening compound: methyl 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)acetate
8012-7561 Screening compound: methyl 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7561
methyl 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)acetate

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

8012-7561

Molecular Formula

C23H18ClN3O3 (C23 H18 ClN3 O3)

Compound Name

methyl 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)acetate

IUPAC name

methyl 2-(4-{[4-(4-chlorophenyl)phthalazin-1-yl]amino}phenoxy)acetate

SMILES

COC(COc(cc1)ccc1Nc1nnc(-c(cc2)ccc2Cl)c2ccccc12)=O

InChI

InChI=1S/C23H18ClN3O3/c1-29-21(28)14-30-18-12-10-17(11-13-18)25-23-20-5-3-2-4-19(20)22(26-27-23)15-6-8-16(24)9-7-15/h2-13H,14H2,1H3,(H,25,27)

InChI Key

FVYPJTAZJXZQKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.82

Polar Surface Area

59.839

Acid Dissociation Constant (pKa)

19.49

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8012-7561 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8012-7561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7561?
Check Price and Availability of 8012-7561, 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 8012-7561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7561
  • 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 8012-7561 available by request