8012-5472 Screening compound: 5-{4-[4-(aminosulfonyl)anilino]-1-phthalazinyl}-2-methyl-N~1~-(2-pyridylmethyl)-1-benzenesulfonamide

8012-5472 Screening compound: 5-{4-[4-(aminosulfonyl)anilino]-1-phthalazinyl}-2-methyl-N~1~-(2-pyridylmethyl)-1-benzenesulfonamide
8012-5472 Screening compound: 5-{4-[4-(aminosulfonyl)anilino]-1-phthalazinyl}-2-methyl-N~1~-(2-pyridylmethyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5472
5-{4-[4-(aminosulfonyl)anilino]-1-phthalazinyl}-2-methyl-N~1~-(2-pyridylmethyl)-1-benzenesulfonamide

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

8012-5472

Molecular Formula

C27H24N6O4S2 (C27 H24 N6 O4 S2)

Compound Name

5-{4-[4-(aminosulfonyl)anilino]-1-phthalazinyl}-2-methyl-N~1~-(2-pyridylmethyl)-1-benzenesulfonamide

IUPAC name

2-methyl-N-[(pyridin-2-yl)methyl]-5-{4-[(4-sulfamoylphenyl)amino]phthalazin-1-yl}benzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1S(N)(=O)=O)c1)c1S(NCc1ncccc1)(=O)=O

InChI

InChI=1S/C27H24N6O4S2/c1-18-9-10-19(16-25(18)39(36,37)30-17-21-6-4-5-15-29-21)26-23-7-2-3-8-24(23)27(33-32-26)31-20-11-13-22(14-12-20)38(28,34)35/h2-16,30H,17H2,1H3,(H,31,33)(H2,28,34,35)

InChI Key

MWYBWYBJIFJRII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.66

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.78

Polar Surface Area

133.665

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.41

8012-5472 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-5472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5472?
Check Price and Availability of 8012-5472, 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 8012-5472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5472
  • 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 8012-5472 available by request