1188-0576 Screening compound: 3-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate

1188-0576 Screening compound: 3-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate
1188-0576 Screening compound: 3-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1188-0576
3-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate

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

1188-0576

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

3-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate

IUPAC name

3-(5-methyl-13-dioxo-233a477a-hexahydro-1H-isoindol-2-yl)phenyl acetate

SMILES

CC(Oc1cccc(N(C(C2C3CC(C)=CC2)=O)C3=O)c1)=O

InChI

InChI=1S/C17H17NO4/c1-10-6-7-14-15(8-10)17(21)18(16(14)20)12-4-3-5-13(9-12)22-11(2)19/h3-6,9,14-15H,7-8H2,1-2H3

InChI Key

ZMHGJCYAZDXVHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00405072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

2.122

Water Solubility, LogSw

-3.01

Polar Surface Area

49.823

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

-8.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.30

1188-0576 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 1188-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1188-0576?
Check Price and Availability of 1188-0576, 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 1188-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1188-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1188-0576
  • 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 1188-0576 available by request