1000-1631 Screening compound: 5,6-dimethyl-2-[4-(morpholin-4-yl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

1000-1631 Screening compound: 5,6-dimethyl-2-[4-(morpholin-4-yl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione
1000-1631 Screening compound: 5,6-dimethyl-2-[4-(morpholin-4-yl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1000-1631
5,6-dimethyl-2-[4-(morpholin-4-yl)phenyl]-2,3,3a,4,7,7a-hexahydro-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

1000-1631

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

5,6-dimethyl-2-[4-(morpholin-4-yl)phenyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

IUPAC name

56-dimethyl-2-[4-(morpholin-4-yl)phenyl]-233a477a-hexahydro-1H-isoindole-13-dione

SMILES

CC(CC1C(N2c(cc3)ccc3N3CCOCC3)=O)=C(C)CC1C2=O

InChI

InChI=1S/C20H24N2O3/c1-13-11-17-18(12-14(13)2)20(24)22(19(17)23)16-5-3-15(4-6-16)21-7-9-25-10-8-21/h3-6,17-18H,7-12H2,1-2H3

InChI Key

GQCZEUJZMZKGFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.980

Distribution Coefficient, logD

1.980

Water Solubility, LogSw

-2.70

Polar Surface Area

40.433

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

1000-1631 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Soluble Diversity Library (15920 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 1000-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1000-1631?
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What is the minimum amount of 1000-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1000-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1000-1631
  • 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 1000-1631 available by request