Y050-3045 Screening compound: 6-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione

Y050-3045 Screening compound: 6-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione
Y050-3045 Screening compound: 6-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-3045
6-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-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

Y050-3045

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

6-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

6-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}-1234-tetrahydroquinoxaline-23-dione

SMILES

COc(cccc1)c1N(CC1)CCN1S(c(cc1)cc(NC2=O)c1NC2=O)(=O)=O

InChI

InChI=1S/C19H20N4O5S/c1-28-17-5-3-2-4-16(17)22-8-10-23(11-9-22)29(26,27)13-6-7-14-15(12-13)21-19(25)18(24)20-14/h2-7,12H,8-11H2,1H3,(H,20,24)(H,21,25)

InChI Key

DXTFURXIYSBZOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09670947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.304

Distribution Coefficient, logD

0.426

Water Solubility, LogSw

-2.54

Polar Surface Area

92.374

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

Y050-3045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y050-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-3045?
Check Price and Availability of Y050-3045, 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 Y050-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-3045
  • 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 Y050-3045 available by request