8018-6645 Screening compound: cyclopentyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

8018-6645 Screening compound: cyclopentyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate
8018-6645 Screening compound: cyclopentyl 4-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6645
cyclopentyl 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

8018-6645

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1N(C(C1C2CCCC1)=O)C2=O)OC1CCCC1

InChI

InChI=1S/C20H23NO4/c22-18-16-7-3-4-8-17(16)19(23)21(18)14-11-9-13(10-12-14)20(24)25-15-5-1-2-6-15/h9-12,15-17H,1-8H2

InChI Key

UXSJFJLMKVWJPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

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

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.18

Polar Surface Area

49.522

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

8018-6645 in Drug Discovery

Included in Screening Libraries

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

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 8018-6645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6645?
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What is the minimum amount of 8018-6645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6645
  • 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 8018-6645 available by request