G403-2727 Screening compound: 4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxalin-2-one

G403-2727 Screening compound: 4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxalin-2-one
G403-2727 Screening compound: 4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G403-2727
4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxalin-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

G403-2727

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

4-{[1,2,5-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-{[125-trimethyl-4-(4-methylpiperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-1234-tetrahydroquinoxalin-2-one

SMILES

CC(CC1)CCN1C(c1c(C)n(C)c(C)c1S(N(C1)c(cccc2)c2NC1=O)(=O)=O)=O

InChI

InChI=1S/C22H28N4O4S/c1-14-9-11-25(12-10-14)22(28)20-15(2)24(4)16(3)21(20)31(29,30)26-13-19(27)23-17-7-5-6-8-18(17)26/h5-8,14H,9-13H2,1-4H3,(H,23,27)

InChI Key

DTFYKJKWHHYNOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15009553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.560

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-2.53

Polar Surface Area

75.652

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G403-2727 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G403-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G403-2727?
Check Price and Availability of G403-2727, 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 G403-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G403-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G403-2727
  • 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 G403-2727 available by request