8019-6276 Screening compound: butyl 4-(3-octahydro-2H-isoindol-2-yl-2,5-dioxo-1-pyrrolidinyl)benzoate

8019-6276 Screening compound: butyl 4-(3-octahydro-2H-isoindol-2-yl-2,5-dioxo-1-pyrrolidinyl)benzoate
8019-6276 Screening compound: butyl 4-(3-octahydro-2H-isoindol-2-yl-2,5-dioxo-1-pyrrolidinyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6276
butyl 4-(3-octahydro-2H-isoindol-2-yl-2,5-dioxo-1-pyrrolidinyl)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

8019-6276

Molecular Formula

C23H30N2O4 (C23 H30 N2 O4)

Compound Name

butyl 4-(3-octahydro-2H-isoindol-2-yl-2,5-dioxo-1-pyrrolidinyl)benzoate

IUPAC name

butyl 4-[3-(octahydro-1H-isoindol-2-yl)-25-dioxopyrrolidin-1-yl]benzoate

SMILES

CCCCOC(c(cc1)ccc1N(C(CC1N(C2)CC3C2CCCC3)=O)C1=O)=O

InChI

InChI=1S/C23H30N2O4/c1-2-3-12-29-23(28)16-8-10-19(11-9-16)25-21(26)13-20(22(25)27)24-14-17-6-4-5-7-18(17)15-24/h8-11,17-18,20H,2-7,12-15H2,1H3

InChI Key

LREAQPNCHAYYIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.335

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.33

Polar Surface Area

53.189

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.87

8019-6276 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8019-6276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6276?
Check Price and Availability of 8019-6276, 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 8019-6276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6276
  • 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 8019-6276 available by request