3043-0156 Screening compound: 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-methoxybenzoate

3043-0156 Screening compound: 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-methoxybenzoate
3043-0156 Screening compound: 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3043-0156
4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-methoxybenzoate

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

3043-0156

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-methoxybenzoate

IUPAC name

4-(5-methyl-13-dioxo-octahydro-1H-isoindol-2-yl)phenyl 2-methoxybenzoate

SMILES

CC(CCC1C(N2c(cc3)ccc3OC(c(cccc3)c3OC)=O)=O)CC1C2=O

InChI

InChI=1S/C23H23NO5/c1-14-7-12-17-19(13-14)22(26)24(21(17)25)15-8-10-16(11-9-15)29-23(27)18-5-3-4-6-20(18)28-2/h3-6,8-11,14,17,19H,7,12-13H2,1-2H3

InChI Key

SROYVBSRTNKJEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02020252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.652

Distribution Coefficient, logD

3.652

Water Solubility, LogSw

-3.88

Polar Surface Area

57.080

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

34.80

3043-0156 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 3043-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3043-0156?
Check Price and Availability of 3043-0156, 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 3043-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3043-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3043-0156
  • 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 3043-0156 available by request