5782-4428 Screening compound: 3,4-dimethylphenyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

5782-4428 Screening compound: 3,4-dimethylphenyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate
5782-4428 Screening compound: 3,4-dimethylphenyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4428
3,4-dimethylphenyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)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

5782-4428

Molecular Formula

C23H23NO4 (C23 H23 NO4)

Compound Name

3,4-dimethylphenyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

IUPAC name

34-dimethylphenyl 4-(13-dioxo-octahydro-1H-isoindol-2-yl)benzoate

SMILES

Cc(cc1)c(C)cc1OC(c(cc1)ccc1N(C(C1C2CCCC1)=O)C2=O)=O

InChI

InChI=1S/C23H23NO4/c1-14-7-12-18(13-15(14)2)28-23(27)16-8-10-17(11-9-16)24-21(25)19-5-3-4-6-20(19)22(24)26/h7-13,19-20H,3-6H2,1-2H3

InChI Key

RRFHEIWICLSPRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.014

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.27

Polar Surface Area

49.450

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

5782-4428 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5782-4428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4428?
Check Price and Availability of 5782-4428, 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 5782-4428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4428
  • 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 5782-4428 available by request