G069-0561 Screening compound: 1,3,3-trimethyl-5-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one

G069-0561 Screening compound: 1,3,3-trimethyl-5-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one
G069-0561 Screening compound: 1,3,3-trimethyl-5-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G069-0561
1,3,3-trimethyl-5-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one

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

G069-0561

Molecular Formula

C26H33N3O3S (C26 H33 N3 O3 S)

Compound Name

1,3,3-trimethyl-5-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-2-one

IUPAC name

133-trimethyl-5-({3-[(1234-tetrahydroisoquinolin-2-yl)methyl]piperidin-1-yl}sulfonyl)-23-dihydro-1H-indol-2-one

SMILES

CC(C)(c(cc(cc1)S(N2CC(CN(CC3)Cc4c3cccc4)CCC2)(=O)=O)c1N1C)C1=O

InChI

InChI=1S/C26H33N3O3S/c1-26(2)23-15-22(10-11-24(23)27(3)25(26)30)33(31,32)29-13-6-7-19(17-29)16-28-14-12-20-8-4-5-9-21(20)18-28/h4-5,8-11,15,19H,6-7,12-14,16-18H2,1-3H3/t19-/m1/s1

InChI Key

JKLMYZURJCKKKT-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14978427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.97

Polar Surface Area

50.783

Acid Dissociation Constant (pKa)

25.40

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G069-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G069-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G069-0561?
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What is the minimum amount of G069-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G069-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G069-0561
  • 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 G069-0561 available by request