5849-2771 Screening compound: 5-(3,4-dimethylphenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

5849-2771 Screening compound: 5-(3,4-dimethylphenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
5849-2771 Screening compound: 5-(3,4-dimethylphenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5849-2771
5-(3,4-dimethylphenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

5849-2771

Molecular Formula

C22H17NO4 (C22 H17 NO4)

Compound Name

5-(3,4-dimethylphenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(34-dimethylphenoxy)-2-(4-hydroxyphenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

Cc(cc1)c(C)cc1Oc(cc1)cc(C(N2c(cc3)ccc3O)=O)c1C2=O

InChI

InChI=1S/C22H17NO4/c1-13-3-8-17(11-14(13)2)27-18-9-10-19-20(12-18)22(26)23(21(19)25)15-4-6-16(24)7-5-15/h3-12,24H,1-2H3

InChI Key

DWLFDNHMXRAALU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03182765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.864

Water Solubility, LogSw

-4.51

Polar Surface Area

53.245

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5849-2771 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5849-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5849-2771?
Check Price and Availability of 5849-2771, 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 5849-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5849-2771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5849-2771
  • 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 5849-2771 available by request