7399-0512 Screening compound: 6,6,8-trimethyl-5-(4-methylbenzenesulfonyl)-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline

7399-0512 Screening compound: 6,6,8-trimethyl-5-(4-methylbenzenesulfonyl)-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline
7399-0512 Screening compound: 6,6,8-trimethyl-5-(4-methylbenzenesulfonyl)-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 7399-0512
6,6,8-trimethyl-5-(4-methylbenzenesulfonyl)-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline

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

7399-0512

Molecular Formula

C20H21NO4S (C20 H21 NO4 S)

Compound Name

6,6,8-trimethyl-5-(4-methylbenzenesulfonyl)-2H,5H,6H-[1,3]dioxolo[4,5-g]quinoline

IUPAC name

668-trimethyl-5-(4-methylbenzenesulfonyl)-2H5H6H-[13]dioxolo[45-g]quinoline

SMILES

CC(C)(C=C(C)c1c2cc3OCOc3c1)N2S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C20H21NO4S/c1-13-5-7-15(8-6-13)26(22,23)21-17-10-19-18(24-12-25-19)9-16(17)14(2)11-20(21,3)4/h5-11H,12H2,1-4H3

InChI Key

YOGUVGXVDHARIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.17

Polar Surface Area

48.056

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-10.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

7399-0512 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7399-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7399-0512?
Check Price and Availability of 7399-0512, 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 7399-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7399-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7399-0512
  • 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 7399-0512 available by request