G425-0027 Screening compound: 9-{[4-(3,5-dimethylbenzoyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

G425-0027 Screening compound: 9-{[4-(3,5-dimethylbenzoyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
G425-0027 Screening compound: 9-{[4-(3,5-dimethylbenzoyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G425-0027
9-{[4-(3,5-dimethylbenzoyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-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

G425-0027

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

9-{[4-(3,5-dimethylbenzoyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

IUPAC name

7-{[4-(35-dimethylbenzoyl)piperazin-1-yl]sulfonyl}-1-azatricyclo[7.3.1.0^{513}]trideca-579(13)-trien-2-one

SMILES

Cc1cc(C(N(CC2)CCN2S(c(cc2CCC3)cc(CC4)c2N3C4=O)(=O)=O)=O)cc(C)c1

InChI

InChI=1S/C25H29N3O4S/c1-17-12-18(2)14-21(13-17)25(30)26-8-10-27(11-9-26)33(31,32)22-15-19-4-3-7-28-23(29)6-5-20(16-22)24(19)28/h12-16H,3-11H2,1-2H3

InChI Key

QEVRMSXBFMZPDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.066

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.36

Polar Surface Area

65.643

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G425-0027 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G425-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G425-0027?
Check Price and Availability of G425-0027, 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 G425-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G425-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G425-0027
  • 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 G425-0027 available by request