8012-7590 Screening compound: 4-{[4-(3-{[2-(3,4-diethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}-N,N-dimethylbenzamide

8012-7590 Screening compound: 4-{[4-(3-{[2-(3,4-diethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}-N,N-dimethylbenzamide
8012-7590 Screening compound: 4-{[4-(3-{[2-(3,4-diethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}-N,N-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7590
4-{[4-(3-{[2-(3,4-diethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}-N,N-dimethylbenzamide

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

8012-7590

Molecular Formula

C36H39N5O5S (C36 H39 N5 O5 S)

Compound Name

4-{[4-(3-{[2-(3,4-diethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}-N,N-dimethylbenzamide

IUPAC name

4-{[4-(3-{[2-(34-diethoxyphenyl)ethyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}-NN-dimethylbenzamide

SMILES

CCOc(ccc(CCNS(c1c(C)ccc(-c(c2ccccc22)nnc2Nc(cc2)ccc2C(N(C)C)=O)c1)(=O)=O)c1)c1OCC

InChI

InChI=1S/C36H39N5O5S/c1-6-45-31-19-13-25(22-32(31)46-7-2)20-21-37-47(43,44)33-23-27(14-12-24(33)3)34-29-10-8-9-11-30(29)35(40-39-34)38-28-17-15-26(16-18-28)36(42)41(4)5/h8-19,22-23,37H,6-7,20-21H2,1-5H3,(H,38,40)

InChI Key

CLUZEAXLXULCAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03134100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.8

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.61

Polar Surface Area

103.782

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8012-7590 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)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 8012-7590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7590?
Check Price and Availability of 8012-7590, 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 8012-7590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7590
  • 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 8012-7590 available by request