4903-2161 Screening compound: methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate

4903-2161 Screening compound: methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
4903-2161 Screening compound: methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4903-2161
methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate

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

4903-2161

Molecular Formula

C28H28N4O5S (C28 H28 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H28N4O5S/c1-18-9-10-20(16-25(18)38(34,35)29-17-22-6-5-15-37-22)26-23-7-3-4-8-24(23)27(32-31-26)30-21-13-11-19(12-14-21)28(33)36-2/h3-4,7-14,16,22,29H,5-6,15,17H2,1-2H3,(H,30,32)/t22-/m1/s1

InChI Key

AONUALDDNMMYDE-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03007167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.77

Polar Surface Area

103.347

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4903-2161 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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 4903-2161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4903-2161?
Check Price and Availability of 4903-2161, 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 4903-2161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4903-2161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4903-2161
  • 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 4903-2161 available by request