5536-1217 Screening compound: 4-(quinoxalin-2-yl)phenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoate

5536-1217 Screening compound: 4-(quinoxalin-2-yl)phenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoate
5536-1217 Screening compound: 4-(quinoxalin-2-yl)phenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5536-1217
4-(quinoxalin-2-yl)phenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoate

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

5536-1217

Molecular Formula

C27H21N3O6S (C27 H21 N3 O6 S)

Compound Name

4-(quinoxalin-2-yl)phenyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoate

IUPAC name

4-(quinoxalin-2-yl)phenyl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methanesulfonylbutanoate

SMILES

CS(CCC(C(Oc(cc1)ccc1-c1nc2ccccc2nc1)=O)N(C(c1c2cccc1)=O)C2=O)(=O)=O

InChI

InChI=1S/C27H21N3O6S/c1-37(34,35)15-14-24(30-25(31)19-6-2-3-7-20(19)26(30)32)27(33)36-18-12-10-17(11-13-18)23-16-28-21-8-4-5-9-22(21)29-23/h2-13,16,24H,14-15H2,1H3/t24-/m0/s1

InChI Key

LRQWAKDLKXJYJZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD03605106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-3.99

Polar Surface Area

95.262

Acid Dissociation Constant (pKa)

19.96

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

5536-1217 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 5536-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5536-1217?
Check Price and Availability of 5536-1217, 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 5536-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5536-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5536-1217
  • 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 5536-1217 available by request