G069-0412 Screening compound: 1,3,3-trimethyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one

G069-0412 Screening compound: 1,3,3-trimethyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one
G069-0412 Screening compound: 1,3,3-trimethyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G069-0412
1,3,3-trimethyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-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

G069-0412

Molecular Formula

C23H29N3O3S (C23 H29 N3 O3 S)

Compound Name

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

IUPAC name

133-trimethyl-5-{[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl}-23-dihydro-1H-indol-2-one

SMILES

CC(CN(CC1)S(c(cc2)cc(C3(C)C)c2N(C)C3=O)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C23H29N3O3S/c1-16-7-6-8-18(13-16)26-12-11-25(15-17(26)2)30(28,29)19-9-10-21-20(14-19)23(3,4)22(27)24(21)5/h6-10,13-14,17H,11-12,15H2,1-5H3/t17-/m0/s1

InChI Key

HYYPENPTJHGCDZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14978384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-3.87

Polar Surface Area

49.934

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

G069-0412 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with G069-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G069-0412?
Check Price and Availability of G069-0412, 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 G069-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G069-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G069-0412
  • 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 G069-0412 available by request