1785-2545 Screening compound: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione

1785-2545 Screening compound: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione
1785-2545 Screening compound: 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1785-2545
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

1785-2545

Molecular Formula

C17H20N2O3 (C17 H20 N2 O3)

Compound Name

2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(26-dimethylpiperidin-1-yl)-2-oxoethyl]-23-dihydro-1H-isoindole-13-dione

SMILES

CC(CCCC1C)N1C(CN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C17H20N2O3/c1-11-6-5-7-12(2)19(11)15(20)10-18-16(21)13-8-3-4-9-14(13)17(18)22/h3-4,8-9,11-12H,5-7,10H2,1-2H3

InChI Key

XLMFTEKRNNGNQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00818239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.809

Distribution Coefficient, logD

1.809

Water Solubility, LogSw

-2.60

Polar Surface Area

44.108

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.06

1785-2545 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1785-2545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1785-2545?
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What is the minimum amount of 1785-2545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1785-2545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1785-2545
  • 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 1785-2545 available by request