3043-0173 Screening compound: ethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

3043-0173 Screening compound: ethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate
3043-0173 Screening compound: ethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3043-0173
ethyl 4-(5-methyl-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

3043-0173

Molecular Formula

C18H21NO4 (C18 H21 NO4)

Compound Name

ethyl 4-(5-methyl-1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

IUPAC name

ethyl 4-(5-methyl-13-dioxo-octahydro-1H-isoindol-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(C1C2CC(C)CC1)=O)C2=O)=O

InChI

InChI=1S/C18H21NO4/c1-3-23-18(22)12-5-7-13(8-6-12)19-16(20)14-9-4-11(2)10-15(14)17(19)21/h5-8,11,14-15H,3-4,9-10H2,1-2H3

InChI Key

HATHUEWNBMABDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00176334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.37

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

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.19

Polar Surface Area

49.826

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

3043-0173 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 3043-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3043-0173?
Check Price and Availability of 3043-0173, 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 3043-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3043-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3043-0173
  • 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 3043-0173 available by request