5233-2325 Screening compound: N,N-dimethyl-4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzamide

5233-2325 Screening compound: N,N-dimethyl-4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzamide
5233-2325 Screening compound: N,N-dimethyl-4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5233-2325
N,N-dimethyl-4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}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

5233-2325

Molecular Formula

C29H31N5O4S (C29 H31 N5 O4 S)

Compound Name

N,N-dimethyl-4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzamide

IUPAC name

NN-dimethyl-4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzamide

SMILES

Cc(ccc(-c(c1ccccc11)nnc1Nc(cc1)ccc1C(N(C)C)=O)c1)c1S(NCC1OCCC1)(=O)=O

InChI

InChI=1S/C29H31N5O4S/c1-19-10-11-21(17-26(19)39(36,37)30-18-23-7-6-16-38-23)27-24-8-4-5-9-25(24)28(33-32-27)31-22-14-12-20(13-15-22)29(35)34(2)3/h4-5,8-15,17,23,30H,6-7,16,18H2,1-3H3,(H,31,33)/t23-/m1/s1

InChI Key

SANAWFBGMBPJFG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03289309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.274

Distribution Coefficient, logD

3.274

Water Solubility, LogSw

-3.58

Polar Surface Area

98.174

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

5233-2325 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5233-2325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5233-2325?
Check Price and Availability of 5233-2325, 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 5233-2325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5233-2325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5233-2325
  • 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 5233-2325 available by request