G425-0059 Screening compound: 9-{[4-(1-adamantylcarbonyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one

G425-0059 Screening compound: 9-{[4-(1-adamantylcarbonyl)piperazino]sulfonyl}-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
G425-0059 Screening compound: 9-{[4-(1-adamantylcarbonyl)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 G425-0059
9-{[4-(1-adamantylcarbonyl)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

G425-0059

Molecular Formula

C27H35N3O4S (C27 H35 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)N(CC1)CCN1S(c(cc1CCC2)cc(CC3)c1N2C3=O)(=O)=O

InChI

InChI=1S/C27H35N3O4S/c31-24-4-3-22-14-23(13-21-2-1-5-30(24)25(21)22)35(33,34)29-8-6-28(7-9-29)26(32)27-15-18-10-19(16-27)12-20(11-18)17-27/h13-14,18-20H,1-12,15-17H2

InChI Key

JHXLICJJDLDNBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09235597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.66

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

4.174

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.26

Polar Surface Area

65.676

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.40

G425-0059 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G425-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G425-0059?
Check Price and Availability of G425-0059, 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 G425-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G425-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G425-0059
  • 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 G425-0059 available by request